SCHEMBL358974

SCHEMBL358974

Nc1cc(Cl)ccc1-c1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
SHMT1 P34896 2/20 0.42
SHMT2 P34897 1/20 0.42
CYP2C9 P11712 1/20 0.42
NR4A2 P43354 1/20 0.42
KCNH2 Q12809 1/20 0.42
FYN P06241 2/20 0.41
CHKA P35790 1/20 0.41
PI4K2A Q9BTU6 1/20 0.40
MAP2K4 P45985 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL357433 0.83 ALDH1A1 (0.44) FYNCHKAALDH1A1ALOX15SMN1; SMN2
SCHEMBL23609376 0.81 TAAR1 (0.41) SHMT1SHMT2CHKAALDH1A1ALOX15
SCHEMBL20530656 0.81 PNMT (0.43) PRKCIMRGPRX4SHMT1SHMT2CYP2C9
SCHEMBL2023225 0.81 FFAR1 (0.47) PRKCIMRGPRX4SHMT1SHMT2CYP2C9
SCHEMBL3726097 0.80 ALDH1A1 (0.57) PRKCIFYNPI4K2AALDH1A1HSD17B10
SCHEMBL358933 0.79 ALDH1A1 (0.54) CYP2C9ALDH1A1ALOX15SMN1; SMN2HPGD
SCHEMBL12505390 0.78 ALDH1A1 (0.52) CYP2C9ALDH1A1ALOX15SMN1; SMN2HPGD
Methyl Alcohol SCHEMBL28859435 0.78 ALDH1A1 (0.48) CYP2C9ALDH1A1ALOX15SMN1; SMN2HPGD
SCHEMBL16573998 0.77 PRKCI (0.44) PRKCIMRGPRX4SHMT1SHMT2CYP2C9
SCHEMBL6968998 0.77 PRKCI (0.58) PRKCIMRGPRX4CYP2C9NR4A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PRKCI 2344/4885MRGPRX4 151/4885SHMT1 1304/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PRKCI 2344/4885MRGPRX4 151/4885SHMT1 1304/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 PRKCI 2344/4885MRGPRX4 151/4885SHMT1 1304/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PRKCI 2344/4885MRGPRX4 151/4885SHMT1 1304/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 PRKCI 2344/4885MRGPRX4 151/4885SHMT1 1304/4885

“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.