SCHEMBL2400950

SCHEMBL2400950

NC(=O)[C@H]1CC[C@@H](Nc2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 4/20 0.44
PKN2 Q16513 3/20 0.44
RPS6KA5 O75582 2/20 0.44
LRRK2 Q5S007 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
PRKCQ Q04759 2/20 0.44
PRKCD Q05655 2/20 0.44
CHUK O15111 1/20 0.44
PRKD3 O94806 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
PRKX P51817 1/20 0.44
CDK5 Q00535 1/20 0.44
STK3 Q13188 1/20 0.44
PRKG2 Q13237 1/20 0.44

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
SCHEMBL2400953 1.00 ROCK2 (0.44) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL2400211 0.85 ROCK2 (0.44) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL2400204 0.85 ROCK2 (0.44) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL2402688 0.83 KDM4E (0.54) TSHRLMNAGLABTKSYK
SCHEMBL2371923 0.83 KDM4E (0.54) TSHRLMNAGLABTKSYK
SCHEMBL10372739 0.82 CTSD (0.48) ROCK2ROCK1LMNAACVRL1EPHX1
SCHEMBL25895208 0.80 MALT1 (0.48) PRKCQPRKCDKCNH2PDGFRBPDGFRA
SCHEMBL25040040 0.77 AOC1 (0.40) EPHX1MELK
SCHEMBL30089543 0.77 IRAK4 (0.50) CDK2EPHX1MDM2S1PR1ADORA2B
SCHEMBL21140454 0.76 EPHX2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 ROCK2 366/4885ROCK1 245/4885PKN2 100/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 ROCK2 366/4885ROCK1 245/4885PKN2 100/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 ROCK2 366/4885ROCK1 245/4885PKN2 100/4885

“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.