SCHEMBL405637

SCHEMBL405637

O=C(NC1CCCCC1)c1cnn2cnc(NCc3cccc(Cl)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
NTRK1 P04629 3/20 0.47
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
IDH1 O75874 1/20 0.44
TYRO3 Q06418 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
PDE9A O76083 1/20 0.42
POLB P06746 1/20 0.41
HSD11B1 P28845 2/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL10190965 0.82 NTRK1 (0.69) EPHX2NTRK1MAPTALOX12PDE9A
SCHEMBL405638 0.81 RAB9A (0.47) NPC1RAB9ATP53
SCHEMBL405791 0.77 ALDH1A1 (0.46) NPC1RAB9APOLBHSD11B1
SCHEMBL404802 0.73 NTRK1 (0.62) NTRK1POLB
SCHEMBL405543 0.72 NTRK1 (0.70) NTRK1POLB
SCHEMBL403242 0.71 NTRK1 (0.85) NTRK1
SCHEMBL404824 0.71 NTRK1 (0.69) NTRK1
SCHEMBL15445111 0.71 NTRK1 (0.71) NTRK1
SCHEMBL405384 0.71 NTRK1 (0.66) NTRK1
SCHEMBL10191126 0.70 NTRK1 (0.60) NTRK1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 EPHX2 1344/4885NTRK1 2693/4885MAPT 4201/4885

“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.