SCHEMBL1782786

SCHEMBL1782786

COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 1.00
AURKA O14965 2/20 1.00
CCNA2 P20248 1/20 1.00
CDK2 P24941 1/20 1.00
PRKDC P78527 12/20 0.68
CSF1R P07333 2/20 0.68
CDK4 P11802 2/20 0.57
CCND1 P24385 2/20 0.57
CDK6 Q00534 2/20 0.57
PIK3CA P42336 2/20 0.56
KCNH2 Q12809 2/20 0.56
INSR P06213 2/20 0.54
IGF1R P08069 2/20 0.54
ALK Q9UM73 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29376473 1.00 TTK (1.00) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782653 0.96 TTK (0.92) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782395 0.94 TTK (0.88) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781344 0.91 TTK (0.84) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1780374 0.88 TTK (0.79) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781068 0.86 TTK (0.76) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781592 0.86 TTK (0.76) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781086 0.85 TTK (0.73) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781441 0.84 TTK (0.73) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781156 0.82 TTK (0.70) TTKAURKACCNA2CDK2PRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338587-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS NOVARTIS PHARMA AG (CH) 2023-10-26 US disclosed
US-20230321285-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS NOVARTIS AG (CH) 2023-10-12 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
WO-2022122938-A1 HORMAD1 THERAPEUTICS THE INSTITUTE OF CANCER RESEARCH (GB) 2022-06-16 WO disclosed
US-20210290624-A1 METHODS OF TREATING CANCERS CHARACTERIZED BY A HIGH EXPRESSION LEVEL OF SPINDLE AND KINETOCHORE ASSOCIATED COMPLEX SUBUNIT 3 (SKA3) GENE UNIVERSITY HEALTH NETWORK (CA) 2021-09-23 US disclosed
CN-107667092-B Formylated N-heterocyclic derivatives as FGFR4 inhibitors 诺华股份有限公司 2021-05-28 CN disclosed
US-10786492-B2 Formylated N-heterocyclic derivatives as FGFR4 inhibitors NOVARTIS AG (CH) 2020-09-29 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
EP-3274344-B1 FORMYLATED N-HETEROCYCLIC DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2019-04-24 EP disclosed
US-20180112258-A1 MEDICAL USES AND METHODS FOR TREATING CANCER USING MONOPOLAR SPINDLE 1 (MPS1) KINASE INHIBITORS THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2018-04-26 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
US-20180065951-A1 Formylated N-heterocyclic derivatives as FGFR4 inhibitors NOVARTIS PHARMA AG (CH) 2018-03-08 US disclosed
EP-3274344-A1 FORMYLATED N-HETEROCYCLIC DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2018-01-31 EP disclosed
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
WO-2017042634-A2 USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE DEL MAR PHARMACEUTICALS (CA) 2017-03-16 WO disclosed
WO-2016151499-A1 FORMYLATED N-HETEROCYCLIC DERIVATIVES AS FGFR4 INHIBITORS NOVARTIS AG (CH) 2016-09-29 WO disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210290624-A1 METHODS OF TREATING CANCERS CHARACTERIZED BY A HIGH EXPRESSION LEVEL OF SPINDLE AND KINETOCHORE ASSOCIATED COMPLEX SUBUNIT 3 (SKA3) GENE TTBK1, TSSK1B, BRCA1 TTK 25/4885AURKA 90/4885CCNA2 833/4885
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TTK 32/4885AURKA 1261/4885CCNA2 339/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 TTK 32/4885AURKA 1261/4885CCNA2 339/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 TTK 4/4885AURKA 43/4885CCNA2 538/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TTK 32/4885AURKA 1261/4885CCNA2 339/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 TTK 32/4885AURKA 1261/4885CCNA2 339/4885
US-20230321285-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS IL15RA, IL15, CD274 TTK 3184/4885AURKA 397/4885CCNA2 4538/4885
US-20180065951-A1 Formylated N-heterocyclic derivatives as FGFR4 inhibitors FGFR4, FGFR1, FGFR3 TTK 3037/4885AURKA 267/4885CCNA2 3773/4885
US-20180112258-A1 MEDICAL USES AND METHODS FOR TREATING CANCER USING MONOPOLAR SPINDLE 1 (MPS1) KINASE INHIBITORS BUB1B, BUB1, AURKC TTK 12/4885AURKA 9/4885CCNA2 1132/4885
US-10786492-B2 Formylated N-heterocyclic derivatives as FGFR4 inhibitors FGFR4, FGFR1, FGFR3 TTK 3037/4885AURKA 267/4885CCNA2 3773/4885
US-20230338587-A1 METHOD OF TREATING PSMA-EXPRESSING CANCERS IL15RA, CD274, IL15 TTK 2538/4885AURKA 391/4885CCNA2 4562/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.