SCHEMBL405633

SCHEMBL405633

CCC(CC)NC(=O)c1cnn2ccc(N(C)c3cccnc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.44
NTRK1 P04629 5/20 0.40
JAK2 O60674 1/20 0.40
HTT P42858 1/20 0.40
SYK P43405 1/20 0.38
FPR1 P21462 6/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
TGFBR1 P36897 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL402142 0.89 NTRK1 (0.43) PDE2ANTRK1JAK2HTTSYK
SCHEMBL405420 0.85 ALDH1A1 (0.41) NTRK1JAK2HTTSYKTGFBR1
SCHEMBL405047 0.84 TP53 (0.41) NTRK1HTTSYKKDM4EALDH1A1
SCHEMBL406323 0.83 NTRK1 (0.43) NTRK1JAK2HTTSYKTGFBR1
SCHEMBL403801 0.83 SYK (0.56) NTRK1JAK2HTTSYKTGFBR1
SCHEMBL404422 0.83 HTT (0.60) NTRK1JAK2HTTKDM4EALDH1A1
SCHEMBL403236 0.82 HTT (0.53) NTRK1JAK2HTTALDH1A1
SCHEMBL405076 0.82 NPC1 (0.53) NTRK1HTTALDH1A1
SCHEMBL399825 0.82 TP53 (0.40) NTRK1HTTKDM4EALDH1A1HSD17B10
SCHEMBL403723 0.82 NTRK1 (0.46) NTRK1JAK2HTTTGFBR1

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 PDE2A 857/4885NTRK1 2693/4885JAK2 1/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PDE2A 857/4885NTRK1 2693/4885JAK2 1/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PDE2A 857/4885NTRK1 2693/4885JAK2 1/4885

“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.