SCHEMBL7295331

SCHEMBL7295331

Cc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
GAA P10253 1/20 0.67
MAPK1 P28482 1/20 0.67
NR1H4 Q96RI1 2/20 0.65
PPARG P37231 2/20 0.65
MAPT P10636 4/20 0.62
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 1/20 0.59
BTK Q06187 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
DHPS P49366 2/20 0.57
POLB P06746 2/20 0.57

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
SCHEMBL12651964 0.89 NPC1 (0.60) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL7295495 0.87 POLB (0.72) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL3924697 0.86 GAA (0.62) RAB9ANPC1SMN1; SMN2GAAMAPT
SCHEMBL2348368 0.86 RAB9A (0.61) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL7294705 0.85 MAPT (0.82) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL1041220 0.85 RAB9A (0.64) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL7291942 0.85 RAB9A (0.64) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL20511115 0.84 MAPT (0.65) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL30288146 0.83 POLB (0.77) RAB9ANPC1SMN1; SMN2MAPTATM
SCHEMBL11769542 0.83 POLB (0.77) RAB9ANPC1SMN1; SMN2MAPTATM

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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 US disclosed
WO-2017133341-A1 NOVEL IRREVERSIBLE BRUTON'S TYROSINE KINASE INHIBITOR 中国科学院合肥物质科学研究院 2017-08-10 WO disclosed
US-8476430-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
WO-2010011837-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-28 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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 (1 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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK RAB9A 2437/4885NPC1 4775/4885SMN1; SMN2 4486/4885

“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.