SCHEMBL14818802

SCHEMBL14818802

C=C/C=N\c1c(N)ncn1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
CDK1 P06493 1/20 0.31

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
SCHEMBL16126885 0.69
SCHEMBL15426833 0.68 MAPT (0.37)
SCHEMBL15358775 0.64 ADORA2A (0.33) ADORA2AADORA1CDK1
SCHEMBL21949053 0.63
SCHEMBL5490092 0.62
Hydrochloric Acid SCHEMBL29208961 0.59
SCHEMBL21245431 0.59
SCHEMBL19142284 0.59
SCHEMBL13978861 0.58 GAA (0.53)
SCHEMBL21467540 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434763-B2 Derivatives of pyridinone as inhibitors for tissue transglutaminase ZEDIRA GMBH (DE) 2016-09-06 US disclosed
US-9242937-B2 Pharmaceutically active disubstituted pyridine derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-26 US disclosed
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA LEADDISCOVERY CENTER GMBH (DE) 2015-11-19 US disclosed
US-20150203535-A1 DERIVATIVES OF PYRIDINONE AS INHIBITORS FOR TISSUE TRANSGLUTAMINASE ZEDIRA GMBH (DE) 2015-07-23 US disclosed
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
US-20140296304-A1 Pharmaceutically Active Disubstituted Pyridine Derivatives LEAD DISCOVERY CENTER GMBH (DE) 2014-10-02 US disclosed
US-20140287454-A1 SUSCEPTIBILITY TO SELECTIVE CDK9 INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-09-25 US disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-28 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 (5 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-20150203535-A1 DERIVATIVES OF PYRIDINONE AS INHIBITORS FOR TISSUE TRANSGLUTAMINASE PLPBP, PNPO, PDXK ADORA2A 2522/4885ADORA1 2010/4885CDK1 441/4885
US-20130079345-A1 PHARMACEUTICALLY ACTIVE DISUBSTITUTED TRIAZINE DERIVATIVES PDE5A, TESK2, PAK5 ADORA2A 986/4885ADORA1 1938/4885CDK1 384/4885
US-20140296304-A1 Pharmaceutically Active Disubstituted Pyridine Derivatives PINK1, PDPK1, LCK ADORA2A 1104/4885ADORA1 1334/4885CDK1 199/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A ADORA2A 4465/4885ADORA1 4436/4885CDK1 4/4885
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 ADORA2A 603/4885ADORA1 728/4885CDK1 152/4885

“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.