SCHEMBL6712450

SCHEMBL6712450

Cc1cc(NC(=O)c2c(C)n[nH]c2-c2ccccc2Cl)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.47
FLT1 P17948 4/20 0.46
KDR P35968 2/20 0.46
GRM4 Q14833 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TYK2 P29597 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6710635 0.89 EPAS1 (0.45) EPAS1FLT1KDRGRM4MEN1
SCHEMBL6707226 0.87 EPAS1 (0.43) EPAS1FLT1KDRGRM4MEN1
SCHEMBL6707268 0.85 EPAS1 (0.50) EPAS1FLT1KDRMEN1NPC1
SCHEMBL29059208 0.85 EPAS1 (0.66) EPAS1KDRMEN1KMT2AALDH1A1
SCHEMBL6707897 0.81 FLT1 (0.53) FLT1KDRMEN1NPC1RAB9A
SCHEMBL6709120 0.80 FLT1 (0.57) EPAS1FLT1KDRMEN1KMT2A
SCHEMBL6707855 0.80 ALDH1A1 (0.44) EPAS1MEN1KMT2AALDH1A1POLB
SCHEMBL6709079 0.78 RAB9A (0.59) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL29058674 0.77 EPAS1 (0.65) EPAS1ALDH1A1TYK2SMN1; SMN2
SCHEMBL29058671 0.77 EPAS1 (0.63) EPAS1GRM4NPC1RAB9AALDH1A1

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
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders SUGEN, INC. 2004-05-27 US disclosed
US-6649635-B2 For therapy of cancer SUGEN, INC. 2003-11-18 US disclosed
US-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders MCMAHON GERALD (US) 2002-05-30 US disclosed
EP-1012150-A4 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN INC (US) 2002-05-29 EP disclosed
US-6316479-B1 ANTICANCER AGENTS SUGEN, INC. 2001-11-13 US disclosed
EP-1012150-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS Sugen, Inc. (US) 2000-06-28 EP disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 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 (2 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-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC EPAS1 1776/4885FLT1 727/4885KDR 633/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC EPAS1 1776/4885FLT1 727/4885KDR 633/4885

“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.