SCHEMBL15426833

SCHEMBL15426833

C=C/C=N\c1c(N)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.32
HTT P42858 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL16121142 0.80 MAPT (0.38) MAPTPOLBHTTSMN1; SMN2CYP1A2
SCHEMBL19274937 0.69 ALDH1A1 (0.56) MAPTPOLBSMN1; SMN2
SCHEMBL16126885 0.69
SCHEMBL14818802 0.68 ADORA2A (0.33)
SCHEMBL16126887 0.66 PI4KA (0.30)
SCHEMBL21467540 0.64
SCHEMBL19155825 0.63 COMT (0.32)
SCHEMBL33843 0.62
SCHEMBL691349 0.61
Hydrochloric Acid SCHEMBL7115195 0.61 PI4KA (0.38) POLBSMN1; SMN2

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 8 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MAPT 1682/4885POLB 2106/4885HTT 3407/4885
US-20140296304-A1 Pharmaceutically Active Disubstituted Pyridine Derivatives PINK1, PDPK1, LCK MAPT 1370/4885POLB 2367/4885HTT 2441/4885
US-20150329537-A2 CDK9 INHIBITORS IN THE TREATMENT OF MIDLINE CARCINOMA CDK9, CDK19, CDKN1A MAPT 3310/4885POLB 1828/4885HTT 4630/4885
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 MAPT 2425/4885POLB 4518/4885HTT 3791/4885

“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.