SCHEMBL3241127

SCHEMBL3241127

NC(=O)c1ccnn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.54
ATM Q13315 1/20 0.51
SCN9A Q15858 3/20 0.48
CYP2C9 P11712 1/20 0.48
SCN5A Q14524 1/20 0.48
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.45
CYP1A2 P05177 2/20 0.44
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
NOTUM Q6P988 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 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
SCHEMBL10467154 0.87 KMT2A (0.53) ATMKMT2APOLBNPC1RAB9A
SCHEMBL28109899 0.81 PARP1 (0.46) PLA2G10POLBCYP3A4MAPTCYP2C19
SCHEMBL15428737 0.80 NR3C2 (0.52) ATMSCN9AKMT2APOLBNPC1
SCHEMBL15428750 0.78 NR3C2 (0.53) KMT2ANPC1RAB9AMAPT
SCHEMBL403594 0.78 POLB (0.56) KMT2APOLBNPC1RAB9AHPGD
SCHEMBL5347073 0.77 SCN9A (0.44) ATMSCN9ACYP2C9SCN5APOLB
SCHEMBL31010201 0.77 F2 (0.40) PLA2G10ATMSCN9ACYP2C9SCN5A
SCHEMBL3168308 0.77 POLB (0.53) CYP2C9KMT2APOLBHPGDCYP3A4
SCHEMBL9681632 0.76 ATM (0.45) ATMCYP2C9KMT2APOLBHPGD
SCHEMBL30141511 0.74 MET (0.44) CYP2C9

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 6 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
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 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 (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 PLA2G10 2595/4885ATM 539/4885SCN9A 3424/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PLA2G10 2595/4885ATM 539/4885SCN9A 3424/4885

“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.