SCHEMBL6707940

SCHEMBL6707940

C=CCc1nocc1C(=O)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
SGMS2 Q8NHU3 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 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
SCHEMBL6707256 0.81 MEN1 (0.52) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL6709263 0.78 CHRNB2 (0.52) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL6709044 0.77 L3MBTL1 (0.59) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL6707975 0.72 MEN1 (0.51) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL6707208 0.72 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL8284022 0.71 RXFP1 (0.56) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL5182822 0.68 GAA (0.69) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL29444017 0.68 MEN1 (0.69) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL6710645 0.68 FLT1 (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL17675194 0.67 MEN1 (0.71) NPC1RAB9ACHRNB2CHRNB4CHRNA3

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 NPC1 2134/4885RAB9A 1132/4885CHRNB2 4269/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC NPC1 2134/4885RAB9A 1132/4885CHRNB2 4269/4885

“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.