SCHEMBL404837

SCHEMBL404837

CC(C)NC(=O)c1cnn2cnc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 9/20 0.39
PDE2A O00408 2/20 0.36
KDM4E B2RXH2 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SYK P43405 1/20 0.35
STING1 Q86WV6 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
RECQL P46063 1/20 0.35
ALOX5 P09917 1/20 0.35
RIPK2 O43353 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL405964 0.82 EPHB3 (0.39) EPHB3KDM4EIRAK4STING1
SCHEMBL405044 0.78 EPHB3 (0.35) EPHB3IRAK4RIPK2LCK
SCHEMBL405792 0.76 EPHB3 (0.52) EPHB3KDM4EIRAK4RIPK2LCK
SCHEMBL402097 0.70 JAK2 (0.48) PDE2AIRAK4STING1JAK2NTRK1
SCHEMBL24567566 0.70 ACACB (0.42) KDM4EL3MBTL1SYKRECQLALOX5
SCHEMBL31678698 0.69 LRRK2 (0.39) KDM4EIRAK4L3MBTL1JAK2RECQL
SCHEMBL20571301 0.68 POLQ (0.40) KDM4EL3MBTL1JAK2RECQLALOX5
SCHEMBL18717545 0.67 PDE2A (0.61) PDE2AKDM4EIRAK4STING1
SCHEMBL12708287 0.67 ALOX5 (0.39) KDM4EIRAK4L3MBTL1JAK2RECQL
SCHEMBL3902859 0.64 ALOX5 (0.45) KDM4EL3MBTL1ALOX5

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 EPHB3 2273/4885PDE2A 857/4885KDM4E 1299/4885

“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.