SCHEMBL15071082

SCHEMBL15071082

Cc1nc2cncc(Br)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.39
ADORA3 P0DMS8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TYMS P04818 1/20 0.32
MAPT P10636 1/20 0.32
PARP1 P09874 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
RPS6KA5 O75582 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
Acetic Acid SCHEMBL15058879 0.90 HSP90AA1 (0.36) CSNK2A1SMN1; SMN2TYMSPARP1ALDH1A1
SCHEMBL13606477 0.76 CSNK2A2 (0.39) CSNK2A1TYMSALDH1A1
SCHEMBL17702657 0.72 CSNK2A1 (0.39) CSNK2A1ADORA3SMN1; SMN2TYMSMAPT
SCHEMBL9502126 0.72 PARP1 (0.44) CSNK2A1ADORA3SMN1; SMN2TYMSMAPT
SCHEMBL15071204 0.72 ADORA3 (0.32) ADORA3
SCHEMBL5586200 0.69 ADORA3 (0.50) ADORA3SMN1; SMN2MAPTPARP1ALDH1A1
SCHEMBL30951806 0.69 PARP1 (0.43) PARP1
SCHEMBL16809188 0.69 CSNK2A1 (0.37) CSNK2A1ADORA3SMN1; SMN2TYMSMAPT
SCHEMBL16809167 0.68 CSNK2A1 (0.39) CSNK2A1ADORA3SMN1; SMN2TYMSMAPT
SCHEMBL22011133 0.68 CSNK2A1 (0.39) CSNK2A1ADORA3SMN1; SMN2TYMSMAPT

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-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
WO-2013092940-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 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 (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-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, PAK3 CSNK2A1 470/4885ADORA3 2260/4885SMN1; SMN2 2883/4885

“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.