SCHEMBL1780374

SCHEMBL1780374

COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2CC#N

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.79
AURKA O14965 1/20 0.79
CCNA2 P20248 1/20 0.79
CDK2 P24941 1/20 0.79
PRKDC P78527 9/20 0.54
CSF1R P07333 2/20 0.54
CDK4 P11802 2/20 0.51
CCND1 P24385 2/20 0.51
CDK6 Q00534 2/20 0.51
IGF1R P08069 3/20 0.49
ALK Q9UM73 3/20 0.49
INSR P06213 2/20 0.49
PIK3CA P42336 2/20 0.46
DYRK1B Q9Y463 1/20 0.45
KCNH2 Q12809 2/20 0.45
BRD4 O60885 1/20 0.43
PLK1 P53350 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL1781344 0.91 TTK (0.84) TTKAURKACCNA2CDK2PRKDC
SCHEMBL29376473 0.88 TTK (1.00) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782786 0.88 TTK (1.00) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781892 0.87 CDK4 (0.61) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1782653 0.84 TTK (0.92) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1780819 0.84 PLK1 (0.59) TTKAURKACCNA2CDK2CDK4
SCHEMBL1782395 0.84 TTK (0.88) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781592 0.77 TTK (0.76) TTKAURKACCNA2CDK2PRKDC
SCHEMBL1781503 0.77 CDK4 (0.65) TTKAURKACCNA2CDK2CDK4
SCHEMBL1781068 0.76 TTK (0.76) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023233148-A1 CANCER THERAPY THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL, (GB) 2023-12-07 WO disclosed
US-11207321-B2 Methods and medical uses THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-12-28 US disclosed
US-20200171032-A1 METHODS AND MEDICAL USES THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-06-04 US disclosed
US-20200138815-A1 METHODS AND MEDICAL USES INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-07 US 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 (4 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-20200138815-A1 METHODS AND MEDICAL USES CDK4, CDK1, CDK5R1 TTK 358/4885AURKA 274/4885CCNA2 28/4885
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-11207321-B2 Methods and medical uses CDK4, CDK1, CDK5R1 TTK 358/4885AURKA 274/4885CCNA2 28/4885
US-20200171032-A1 METHODS AND MEDICAL USES BRCA1, GPER1, SERPINB1 TTK 1379/4885AURKA 1814/4885CCNA2 1144/4885

“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.