SCHEMBL6709263

SCHEMBL6709263

C=CCc1n[nH]cc1C(=O)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA4 P43681 2/20 0.52
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SGMS2 Q8NHU3 1/20 0.47
GRM5 P41594 1/20 0.45
ALOX15 P16050 1/20 0.44
KCNMA1 Q12791 1/20 0.43
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
SCHEMBL6707254 0.81 MEN1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6707940 0.78 NPC1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6707864 0.77 NPC1 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6707253 0.73 MEN1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL8284022 0.73 RXFP1 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL6707138 0.72 SMN1; SMN2 (0.48) NPC1RAB9ATP53SMN1; SMN2
SCHEMBL15057126 0.71 GAA (0.35) KDM4EGAASMN1; SMN2
SCHEMBL15559344 0.70 KDM4E (0.36) KDM4E
SCHEMBL27473596 0.68 MEN1 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL5182822 0.68 GAA (0.69) CHRNB2CHRNB4CHRNA3CHRNA4NPC1

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 CHRNB2 4269/4885CHRNB4 4606/4885CHRNA3 4335/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC CHRNB2 4269/4885CHRNB4 4606/4885CHRNA3 4335/4885

“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.