SCHEMBL15428780

SCHEMBL15428780

C#Cc1cccc(F)c1-n1nc(C)cc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
GRM5 P41594 1/20 0.36
SCN9A Q15858 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MAPT P10636 2/20 0.34
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL15428719 0.88 KMT2A (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL15428627 0.84 SCN9A (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL15428623 0.83 KMT2A (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL15428608 0.81 KMT2A (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL15428781 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL15428762 0.80 KDM4E (0.46) F10ALDH1A1HPGDKMT2AMAPT
SCHEMBL15428647 0.76 L3MBTL1 (0.44) SCN9AALDH1A1HPGDKMT2AMEN1
SCHEMBL15428636 0.76 KMT2A (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL15428747 0.73 ALDH1A1 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL15428590 0.73 SCN9A (0.46) F10F2PRSS1PRSS2PRSS3

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 F10 2215/4885F2 657/4885PRSS1 1135/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 F10 2215/4885F2 657/4885PRSS1 1135/4885

“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.