SCHEMBL15428762

SCHEMBL15428762

C#Cc1ccccc1-n1nc(C)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
F10 P00742 7/20 0.38
NTRK1 P04629 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL15428713 0.86 KDM4E (0.63) KDM4EALDH1A1HPGDTSHRLMNA
SCHEMBL15428770 0.82 PDE4B (0.44) KDM4EALDH1A1HPGDTSHRLMNA
SCHEMBL15428719 0.82 KMT2A (0.39) KDM4EALDH1A1HPGDTSHRF10
SCHEMBL15428676 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HPGDTSHRLMNA
SCHEMBL15428780 0.80 F10 (0.37) KDM4EALDH1A1HPGDF10KMT2A
SCHEMBL15428602 0.79 JAK2 (0.43) ALDH1A1HPGDTSHRLMNAF10
SCHEMBL15428744 0.79 P2RY1 (0.46) ALDH1A1HPGDTSHRLMNAF10
SCHEMBL15428588 0.79 ALDH1A1 (0.43) ALDH1A1HPGDTSHRLMNAF10
SCHEMBL15428763 0.79 CYP1A2 (0.54) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL15428768 0.77 MAPK14 (0.44) ALDH1A1HPGDTSHRKMT2AMAPT

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 KDM4E 1299/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885ALDH1A1 1236/4885HPGD 2251/4885

“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.