SCHEMBL405057

SCHEMBL405057

Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.72
CYP3A4 P08684 2/20 0.72
NTRK1 P04629 1/20 0.72
FYN P06241 1/20 0.72
ROS1 P08922 1/20 0.72
NTRK3 Q16288 1/20 0.72
NTRK2 Q16620 1/20 0.72
JAK1 P23458 11/20 0.70
TYK2 P29597 8/20 0.70
JAK3 P52333 8/20 0.70
CYP1A2 P05177 3/20 0.56
LRRK2 Q5S007 1/20 0.51
EPHB3 P54753 1/20 0.44

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
SCHEMBL28704907 0.87 JAK2 (0.61) JAK2CYP3A4NTRK1FYNROS1
SCHEMBL29488736 0.87 JAK2 (0.61) JAK2CYP3A4NTRK1FYNROS1
SCHEMBL407074 0.85 JAK2 (0.72) JAK2CYP3A4NTRK1FYNROS1
SCHEMBL11027214 0.84 JAK2 (0.71) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL30053121 0.84 JAK2 (0.71) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL406553 0.84 JAK2 (1.00) JAK2CYP3A4NTRK1FYNROS1
SCHEMBL405124 0.82 JAK2 (0.72) JAK2CYP3A4NTRK1FYNROS1
SCHEMBL406582 0.81 JAK2 (0.73) JAK2CYP3A4NTRK1FYNROS1
SCHEMBL10245944 0.80 JAK2 (0.59) JAK2CYP3A4NTRK1FYNROS1
SCHEMBL23495049 0.77 JAK2 (0.75) JAK2JAK1TYK2JAK3LRRK2

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 11 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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US 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-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
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP3A4 817/4885NTRK1 2693/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP3A4 817/4885NTRK1 2693/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP3A4 817/4885NTRK1 2693/4885

“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.