SCHEMBL358051

SCHEMBL358051

COc1c(N)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
IDO1 P14902 1/20 0.48
MAPT P10636 1/20 0.48
EP300 Q09472 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
KEAP1 Q14145 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
HPRT1 P00492 2/20 0.44
ABCC1 P33527 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
CYP1A1 P04798 1/20 0.43

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
SCHEMBL31610446 0.86 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1IDO1
SCHEMBL5623654 0.83 ALDH1A1 (0.50) ALDH1A1IDO1MAPTEP300KAT8
SCHEMBL5751332 0.82 NQO1 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPK1IDO1
SCHEMBL1806270 0.82 SLC2A1 (0.46) ALDH1A1KDM4EMAPK1IDO1MAPT
Hydrochloric Acid SCHEMBL5967545 0.81 ALDH1A1 (0.48) ALDH1A1IDO1MAPTEP300KAT8
SCHEMBL22497614 0.80 ALDH1A1 (0.43) ALDH1A1MAPK1IDO1MAPTEP300
SCHEMBL4594729 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1IDO1
SCHEMBL31610091 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EIDO1MAPTEP300
SCHEMBL16082559 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL293822 0.78 TLR8 (0.44) ALDH1A1IDO1MAPTEP300KAT8

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536518-B Anthelmintic compounds 勃林格殷格翰动物保健美国公司 2020-05-12 CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
EP-2059510-B1 SOX-BASED KINASE SENSOR MASSACHUSETTS INST TECHNOLOGY (US) 2016-11-09 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-8586570-B2 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-11-19 US disclosed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP disclosed
US-20080050761-A1 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2008-02-28 US disclosed
US-20080050761-A1 Sox-based kinase sensor MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2008-02-28 US disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
US-20030207872-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION 2003-11-06 US disclosed
US-5880135-A ANTAGONIST ACTIVITY WITH RESPECT TO CORTICOTROPIN RELEASING HORMONE SANOFI (FR) 1999-03-09 US disclosed
CN-1188476-A 4-phenylaminothiazole derivatives, method for preparing same, and pharmaceutical compositions thereof SANOFI SA (FR) 1998-07-22 CN disclosed
EP-0833822-A1 4-PHENYLAMINOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1998-04-08 EP disclosed
WO-1997000868-A1 4-PHENYLAMINOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1997-01-09 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 (6 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885KDM4E 261/4885SMN1; SMN2 1363/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885KDM4E 261/4885SMN1; SMN2 1363/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885KDM4E 261/4885SMN1; SMN2 1363/4885
US-20080050761-A1 Sox-based kinase sensor SOX18, HIPK1, HIPK3 ALDH1A1 4308/4885KDM4E 1332/4885SMN1; SMN2 3726/4885
US-20030207872-A1 OMEGA-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALDH1A1 1392/4885KDM4E 1426/4885SMN1; SMN2 4321/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885KDM4E 261/4885SMN1; SMN2 1363/4885

“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.