SCHEMBL1900510

SCHEMBL1900510

O=Cc1ccc(-c2ncnc3nc[nH]c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 4/20 0.58
PLK1 P53350 1/20 0.58
AKT2 P31751 9/20 0.57
PRKACA P17612 5/20 0.56
PRKACG P22612 5/20 0.56
PRKACB P22694 5/20 0.56
AKT1 P31749 6/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
AKT3 Q9Y243 1/20 0.48
MAPK14 Q16539 1/20 0.44
LMNA P02545 1/20 0.42
DRD3 P35462 1/20 0.42
PI4KA P42356 1/20 0.42
XDH P47989 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL2938675 0.78 AKT2 (0.70) NEK2AKT2PRKACAPRKACGPRKACB
SCHEMBL27628959 0.78 AKT2 (0.60) NEK2PLK1AKT2PRKACAPRKACG
SCHEMBL28753405 0.78 AKT2 (0.60) NEK2PLK1AKT2PRKACAPRKACG
SCHEMBL1900509 0.75 NEK2 (0.38) NEK2PLK1AKT2PRKACAPRKACG
SCHEMBL19288719 0.72 AKT2 (0.54) NEK2PLK1AKT2PRKACAPRKACG
SCHEMBL4920760 0.72 PRMT1 (0.70) PRKACACYP3A4MAPK14LMNALRRK2
SCHEMBL1692416 0.71 PI4KA (0.52) AKT2PRKACACYP3A4LMNADRD3
SCHEMBL30862619 0.70 PI4KA (0.55) AKT2PRKACAPRKACGPRKACBLMNA
Hypoxanthine SCHEMBL10708632 0.69 ALDH1A1 (0.62)
SCHEMBL2561791 0.69 JAK2 (0.64) PRKACAMAPK14LRRK2

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 43/4885AKT2 110/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 NEK2 79/4885PLK1 43/4885AKT2 110/4885

“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.