SCHEMBL6523716

SCHEMBL6523716

COC(=O)c1ccc(C=Cc2n[nH]c3cc(C=C4C(=O)Nc5ccccc54)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
AURKA O14965 1/20 0.47
RAF1 P04049 1/20 0.47
KDR P35968 7/20 0.47
CHEK1 O14757 2/20 0.47
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
PDPK1 O15530 1/20 0.46
PLK4 O00444 2/20 0.45
PLK1 P53350 2/20 0.45
DHFR P00374 1/20 0.45
ERBB2 P04626 1/20 0.44
PDGFRB P09619 2/20 0.43
EGFR P00533 1/20 0.43
TPI1 P60174 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL6523701 1.00 PIM1 (0.47) PIM1AURKARAF1KDRCHEK1
SCHEMBL6523709 1.00 PIM1 (0.47) PIM1AURKARAF1KDRCHEK1
SCHEMBL12795416 0.90 PSEN1 (0.51) PIM1AURKARAF1KDRCHEK1
SCHEMBL6525459 0.89 PIM1 (0.62) PIM1KDRCHEK1PLK4PLK1
SCHEMBL6525456 0.89 PIM1 (0.62) PIM1KDRCHEK1PLK4PLK1
SCHEMBL6525464 0.89 PIM1 (0.62) PIM1KDRCHEK1PLK4PLK1
SCHEMBL12795418 0.87 APP (0.45) AURKARAF1KDRCHEK1PSEN1
SCHEMBL3712390 0.87 CHEK1 (0.52) PIM1KDRCHEK1PSEN1PSEN2
SCHEMBL3712387 0.87 CHEK1 (0.52) PIM1KDRCHEK1PSEN1PSEN2
SCHEMBL6525542 0.86 PLK4 (0.47) PIM1KDRPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 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 (1 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 PIM1 753/4885AURKA 10/4885RAF1 550/4885

“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.