SCHEMBL6710604

SCHEMBL6710604

Cc1nocc1C(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.63
RAB9A P51151 12/20 0.63
SMN1; SMN2 Q16637 10/20 0.63
TP53 P04637 6/20 0.63
HPGD P15428 1/20 0.63
PKM P14618 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 8/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
ALDH1A1 P00352 2/20 0.58
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
TSHR P16473 1/20 0.56
AHR P35869 1/20 0.55
POLB P06746 1/20 0.55
PLEC Q15149 1/20 0.54

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
SCHEMBL6707866 0.84 RAB9A (0.46) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL6707187 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL27311730 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL6707874 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL7469045 0.77 RAB9A (0.41) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL6707951 0.77 ALDH1A1 (0.74) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL22113950 0.76 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL14363317 0.75 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL12593944 0.75 NPC1 (0.68) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL14363418 0.74 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53HPGD

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 1132/4885SMN1; SMN2 2016/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC NPC1 2134/4885RAB9A 1132/4885SMN1; SMN2 2016/4885

“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.