Sugi Predict

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SCHEMBL12795010

SCHEMBL12795010

O=C1Nc2ccc(OC(F)(F)F)cc2/C1=C\c1ccc2nn[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 5/20 0.53
▸ CES1 P23141 1/20 0.50
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43
▸ APH1A Q96BI3 2/20 0.43
▸ PSENEN Q9NZ42 2/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ LRRK2 Q5S007 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ TLK2 Q86UE8 3/20 0.40
▸ MDM2 Q00987 2/20 0.39

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
SCHEMBL6520557 0.92 RET (0.53) RETCES1PSEN1PSEN2APH1B
SCHEMBL6520566 0.92 RET (0.53) RETCES1PSEN1PSEN2APH1B
SCHEMBL15848831 0.82 FLT3 (0.52) MDM2PLK4CDK2KDRFLT3
SCHEMBL12794839 0.80 PDGFRB (0.54) RETPSEN1PSEN2APH1BNCSTN
SCHEMBL16178955 0.75 KIF11 (0.45) CES1NPC1LMNARAB9AMAPK1
SCHEMBL12848341 0.74 GSK3B (0.67) MAPTLRRK2TLK2GSK3BPDPK1
SCHEMBL12848482 0.74 PDPK1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1395239 0.74 LRRK2 (0.73) RETCES1PSEN1PSEN2APH1B
SCHEMBL1394877 0.74 RET (0.60) RETCES1PSEN1PSEN2APH1B
SCHEMBL4728586 0.74 RAF1 (0.60) RETCES1PSEN1PSEN2APH1B

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 4 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-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
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 RET 234/4885CES1 4080/4885PSEN1 3988/4885

“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.