SCHEMBL15428697

SCHEMBL15428697

Cc1cc(N)n(-c2cc(C#N)ccc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.41
AR P10275 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL15428693 0.89 AR (0.51) KDM4ECYP1A2CYP2C19MAPK1POLB
SCHEMBL11334891 0.80 CYP1A2 (0.49) KDM4ECYP1A2CYP2C19MAPK1POLB
SCHEMBL15428757 0.80 ALDH1A1 (0.53) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL15428694 0.80 KDM4E (0.40) KDM4ECYP2C19ARALDH1A1MEN1
SCHEMBL9193897 0.78 CYP1A2 (0.46) KDM4ECYP1A2CYP2C19MAPK1POLB
SCHEMBL14353427 0.77 CYP1A2 (0.62) CYP1A2CYP2C19MAPK1POLBAR
SCHEMBL1817147 0.75 CYP1A2 (0.59) KDM4ECYP1A2CYP2C19MAPK1POLB
SCHEMBL15428642 0.74 CRHBP (0.48) CYP1A2CYP2C19MAPK1POLBALDH1A1
SCHEMBL3829511 0.74 ALDH1A1 (0.65) KDM4ECYP1A2CYP2C19MAPK1POLB
SCHEMBL7894799 0.72 ALDH1A1 (0.48) CYP1A2CYP2C19MAPK1POLBALDH1A1

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 1299/4885CYP1A2 575/4885CYP2C19 280/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885CYP1A2 575/4885CYP2C19 280/4885

“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.