SCHEMBL6709332

SCHEMBL6709332

Cc1[nH]nc(C2CC2)c1C(=O)Nc1ccc2c(c1)COCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.41
NPC1 O15118 10/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
TP53 P04637 7/20 0.41
MAPT P10636 7/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
SLC11A2 P49281 1/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6709452 0.86 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6707854 0.86 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6707106 0.83 HPGD (0.49) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6709199 0.82 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6709542 0.81 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6709122 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL7469045 0.76 RAB9A (0.41) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6707133 0.75 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6709086 0.74 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6707288 0.73 NPC1 (0.48) 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.