SCHEMBL15428656

SCHEMBL15428656

Cc1cc(C)cc(-n2nccc2C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KAT6A Q92794 1/20 0.36
NPBWR1 P48145 2/20 0.35
RIPK2 O43353 1/20 0.35
MCHR1 Q99705 1/20 0.35
HPGD P15428 1/20 0.35
TYK2 P29597 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL15428750 0.86 NR3C2 (0.53) NR3C2KMT2AALDH1A1MAPTRIPK2
SCHEMBL406516 0.81 ALDH1A1 (0.41) NR3C2MEN1KMT2AALDH1A1MAPT
SCHEMBL15428756 0.80 ATM (0.39) NR3C2CCNCCDK8KAT6ATYK2
SCHEMBL3168308 0.77 POLB (0.53) NR3C2POLBMEN1KMT2AALDH1A1
SCHEMBL27134892 0.77 CCNC (0.42) NR3C2POLBCYP1A2CYP2C19CCNC
SCHEMBL15428581 0.76 ALDH1A1 (0.43) NR3C2POLBMEN1KMT2AALDH1A1
SCHEMBL28109899 0.75 PARP1 (0.46) NR3C2POLBMAPTCYP2C19
SCHEMBL30414722 0.75 NR3C2 (0.48) NR3C2POLBMEN1KMT2ACYP1A2
SCHEMBL4951225 0.75 HSD17B10 (0.41) NR3C2POLBMEN1KMT2AALDH1A1
SCHEMBL16320168 0.74 TGFBR1 (0.39) NR3C2ALDH1A1MAPTKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 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 (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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NR3C2 1351/4885POLB 2697/4885MEN1 2920/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NR3C2 1351/4885POLB 2697/4885MEN1 2920/4885

“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.