SCHEMBL3465475

SCHEMBL3465475

CC(=O)Nc1ccc(C(N)=O)cn1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.69
PTK2 Q05397 1/20 0.59
EPHX2 P34913 1/20 0.58
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HCAR3 P49019 2/20 0.47

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
SCHEMBL25190504 0.86 PTK2 (0.59) NNMTPTK2EPHX2CYP1A2GAA
SCHEMBL7093993 0.85 PTK2 (0.62) NNMTPTK2CYP1A2GAASMN1; SMN2
SCHEMBL82675 0.84 HCAR3 (0.68) PTK2CYP1A2GAAHCAR3
SCHEMBL2746891 0.83 NNMT (0.61) NNMTEPHX2SMN1; SMN2HCAR3
SCHEMBL28157252 0.83 NNMT (0.70) NNMTEPHX2SMN1; SMN2HCAR3
Acetone SCHEMBL17558521 0.82 NNMT (0.69) NNMTEPHX2SMN1; SMN2HCAR3
SCHEMBL4320704 0.81 NNMT (1.00) NNMTEPHX2SMN1; SMN2HCAR3
SCHEMBL5537643 0.81 NNMT (0.63) NNMTEPHX2SMN1; SMN2
SCHEMBL19151094 0.81 NNMT (0.63) NNMTEPHX2SMN1; SMN2HCAR3
SCHEMBL3466195 0.81 NNMT (0.63) NNMTEPHX2SMN1; SMN2HCAR3

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568913-B2 Method for generating mature β-like cells HEALTHREGEN PTY LTD (AU) 2020-02-25 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20160045554-A1 METHOD FOR GENERATING MATURE BETA-LIKE CELLS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2016-02-18 US disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
WO-2014153620-A1 METHOD FOR GENERATING MATURE β-LIKE CELLS THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2014-10-02 WO disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO disclosed
US-4258052-A APPLYING TOPICALLY YU RUEY J 1981-03-24 US 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 (5 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NNMT 1562/4885PTK2 3126/4885EPHX2 2057/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 NNMT 790/4885PTK2 4152/4885EPHX2 4374/4885
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 NNMT 2331/4885PTK2 1504/4885EPHX2 1772/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 NNMT 957/4885PTK2 2595/4885EPHX2 808/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NNMT 100/4885PTK2 4052/4885EPHX2 4655/4885

“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.