SCHEMBL401371

SCHEMBL401371

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3cccc(F)c3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
NTRK1 P04629 5/20 0.47
BRAF P15056 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
JAK2 O60674 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
JAK3 P52333 2/20 0.45
TYK2 P29597 2/20 0.45
JAK1 P23458 1/20 0.45
CSF1R P07333 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NLRP3 Q96P20 1/20 0.44
IKBKB O14920 1/20 0.42
PDPK1 O15530 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL406159 0.90 NPC1 (0.57) HTTNTRK1BRAFNPC1RAB9A
SCHEMBL404915 0.90 HTT (0.48) HTTNTRK1NPC1RAB9AJAK2
SCHEMBL404422 0.90 HTT (0.60) HTTNTRK1BRAFNPC1RAB9A
SCHEMBL403236 0.89 HTT (0.53) HTTNTRK1NPC1RAB9AJAK2
SCHEMBL405511 0.88 NPC1 (0.48) HTTBRAFNPC1RAB9AJAK2
SCHEMBL401831 0.88 SMN1; SMN2 (0.51) HTTBRAFNPC1RAB9ASMN1; SMN2
SCHEMBL401813 0.85 HTT (0.49) HTTNTRK1BRAFNPC1RAB9A
SCHEMBL405379 0.84 HTT (0.48) HTTNPC1RAB9AJAK2SMN1; SMN2
SCHEMBL404511 0.83 HTT (0.47) HTTBRAFNPC1RAB9AIRAK4
SCHEMBL403827 0.83 HTT (0.47) HTTBRAFNPC1RAB9AJAK2

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
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (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 HTT 4391/4885NTRK1 2693/4885BRAF 39/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885NTRK1 2693/4885BRAF 39/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885NTRK1 2693/4885BRAF 39/4885

“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.