SCHEMBL1900509

SCHEMBL1900509

O=Cc1ccc(-c2ncnc3[nH]cnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.38
PLK1 P53350 1/20 0.38
CHUK O15111 2/20 0.35
IKBKB O14920 1/20 0.35
AKT2 P31751 6/20 0.35
JAK2 O60674 1/20 0.34
PRKACA P17612 3/20 0.34
PRKACG P22612 3/20 0.34
PRKACB P22694 3/20 0.34
KIT P10721 1/20 0.31
P2RY14 Q15391 1/20 0.31
BRD4 O60885 1/20 0.30
ROCK2 O75116 1/20 0.30
LIMK1 P53667 1/20 0.30

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
SCHEMBL12675764 0.80 NEK2 (0.49) NEK2PLK1CHUKIKBKBAKT2
SCHEMBL2938674 0.78 JAK2 (0.54) AKT2JAK2PRKACAPRKACGPRKACB
SCHEMBL12675762 0.77 NEK2 (0.49) NEK2PLK1CHUKIKBKBAKT2
SCHEMBL4920755 0.76 PRMT1 (0.44) JAK2
SCHEMBL1904661 0.76 NEK2 (0.71) NEK2PLK1
SCHEMBL12675760 0.76 NEK2 (0.43) NEK2PLK1JAK2KITROCK2
SCHEMBL1904658 0.76 NEK2 (0.71) NEK2PLK1
SCHEMBL1900510 0.75 NEK2 (0.58) NEK2PLK1AKT2PRKACAPRKACG
SCHEMBL2561791 0.75 JAK2 (0.64) CHUKIKBKBJAK2PRKACAKIT
SCHEMBL14682578 0.75 NEK2 (0.57) NEK2PLK1

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-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
EP-2558099-A2 KINASE INHIBITORS The Regents Of The University Of California, San Francisco (US) 2013-02-20 EP disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO 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 (2 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-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885PLK1 43/4885CHUK 26/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885PLK1 43/4885CHUK 26/4885

“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.