SCHEMBL6710641

SCHEMBL6710641

O=C(Nc1ccc2c(c1)OCO2)c1c[nH]nc1C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.58
NPC1 O15118 13/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
TP53 P04637 4/20 0.58
MAPT P10636 7/20 0.53
PKM P14618 4/20 0.53
ALDH1A1 P00352 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
RXFP1 Q9HBX9 2/20 0.53
AHR P35869 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL6709542 0.85 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6707874 0.83 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6707187 0.81 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6709452 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6707274 0.74 HPGD (0.65) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6712467 0.74 NR3C1 (0.51) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL5460655 0.74 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL15867670 0.73 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6710654 0.72 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL27179668 0.72 RAB9A (0.90) RAB9ANPC1SMN1; SMN2TP53MAPT

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