SCHEMBL15428574

SCHEMBL15428574

Cc1nc(-c2cccc(Cl)c2)c(C(N)=O)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
RORB Q92753 3/20 0.52
IKBKB O14920 2/20 0.50
MAPT P10636 1/20 0.48
JAK2 O60674 2/20 0.47
CYP3A4 P08684 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
CDC7 O00311 3/20 0.45
DBF4 Q9UBU7 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARP1 P09874 2/20 0.43
PIN1 Q13526 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
SCHEMBL1398713 0.89 KMT2A (0.52) KMT2ARORBMAPTJAK2CYP3A4
SCHEMBL2493975 0.86 RORB (0.69) KMT2ARORBIKBKBCDC7DBF4
SCHEMBL1968418 0.83 TRPM8 (0.65) KMT2AMAPTJAK2TRPM8CDC7
SCHEMBL956697 0.82 CDC7 (0.61) KMT2AIKBKBMAPTCYP3A4CDC7
SCHEMBL28304845 0.81 NPC1 (0.54) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28874732 0.80 NPC1 (0.55) KMT2AMAPTNPC1RAB9A
SCHEMBL28305855 0.79 NPC1 (0.57) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11964988 0.79 ADORA2A (0.48) KMT2ARORBJAK2CYP3A4
SCHEMBL3313394 0.79 SCN9A (0.57) KMT2ARORBIKBKBJAK2TRPM8
SCHEMBL2091654 0.79 KDM1A (0.48) KMT2AJAK2CYP3A4

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 KMT2A 1030/4885RORB 260/4885IKBKB 217/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1030/4885RORB 260/4885IKBKB 217/4885

“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.