SCHEMBL402142

SCHEMBL402142

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.43
JAK2 O60674 7/20 0.43
PDE2A O00408 4/20 0.42
HTT P42858 1/20 0.42
SYK P43405 1/20 0.40
TGFBR1 P36897 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
IRAK1 P51617 1/20 0.38

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
SCHEMBL405633 0.89 PDE2A (0.44) NTRK1JAK2PDE2AHTTSYK
SCHEMBL403950 0.89 NTRK1 (0.44) NTRK1JAK2PDE2A
SCHEMBL403723 0.88 NTRK1 (0.46) NTRK1JAK2HTTTGFBR1IRAK4
SCHEMBL406171 0.88 NTRK1 (0.46) NTRK1JAK2HTTTGFBR1IRAK4
SCHEMBL405420 0.87 ALDH1A1 (0.41) NTRK1JAK2HTTSYKTGFBR1
SCHEMBL403801 0.86 SYK (0.56) NTRK1JAK2HTTSYKTGFBR1
SCHEMBL404422 0.86 HTT (0.60) NTRK1JAK2HTT
SCHEMBL403236 0.85 HTT (0.53) NTRK1JAK2HTTIRAK4
SCHEMBL401642 0.84 NTRK1 (0.44) NTRK1JAK2PDE2AHTTSYK
SCHEMBL403696 0.84 IRAK4 (0.41) NTRK1JAK2HTTSYKTGFBR1

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

“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.