SCHEMBL1942530

SCHEMBL1942530

Cc1c(OCCCN2CCC(CO)CC2)cn2ncnc(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)c12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.56
MET P08581 10/20 0.43
KDR P35968 2/20 0.42
EGFR P00533 2/20 0.41
AURKB Q96GD4 1/20 0.41
ERBB2 P04626 1/20 0.40

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
SCHEMBL1940774 0.90 AURKA (0.51) AURKAMETKDREGFRAURKB
SCHEMBL29915092 0.89 AURKA (0.51) AURKAMETEGFRERBB2
SCHEMBL1942543 0.89 AURKA (0.51) AURKAMETEGFRERBB2
SCHEMBL1942214 0.89 AURKA (0.57) AURKAMETKDREGFRAURKB
SCHEMBL1942051 0.88 AURKA (0.51) AURKAMETKDREGFRAURKB
SCHEMBL12562966 0.87 AURKA (0.52) AURKAMETKDREGFRERBB2
SCHEMBL1942218 0.86 AURKA (0.55) AURKAMETKDREGFRAURKB
SCHEMBL1942157 0.85 AURKA (0.51) AURKAMETKDREGFRAURKB
SCHEMBL1734691 0.81 AURKB (0.58) AURKAMETKDREGFRAURKB
SCHEMBL1942949 0.78 AURKA (0.51) AURKAMETAURKB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899346-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 EP claimed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US claimed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US claimed
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
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
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
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
EP-1899346-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 EP disclosed
EP-1899346-B1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 EP disclosed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
WO-2007005631-A1 PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-11 WO disclosed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US 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 (5 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AURKA 1261/4885MET 519/4885KDR 2782/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 AURKA 1261/4885MET 519/4885KDR 2782/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AURKA 1261/4885MET 519/4885KDR 2782/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AURKA 1261/4885MET 519/4885KDR 2782/4885
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith MAP3K20, PRKDC, MAP3K2 AURKA 499/4885MET 1359/4885KDR 2430/4885

“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.