SCHEMBL14312176

SCHEMBL14312176

C=CCN(C)c1nc(OCC(=C)C)nc(OCC(=C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL14312308 0.97 POLB (0.36) POLBCDK1CDK5HTTSMN1; SMN2
SCHEMBL14312193 0.91 POLB (0.33) POLBCDK1CDK5HTTSMN1; SMN2
SCHEMBL14312329 0.86 CRHR1 (0.33) POLBHTT
SCHEMBL14312266 0.86 GAA (0.40) POLBHTTSMN1; SMN2
SCHEMBL14312280 0.83 POLB (0.34) POLBHTTSMN1; SMN2
SCHEMBL14312165 0.80 MAPT (0.40) CDK1CDK5
SCHEMBL2487338 0.77 CDK1 (0.39) POLBCDK1HTTSMN1; SMN2
SCHEMBL14312210 0.77 MAPT (0.40) POLBCDK1CDK5HTTSMN1; SMN2
SCHEMBL14236923 0.73 CDK1 (0.37) CDK1CDK5CYP1A2
SCHEMBL14236888 0.73 ALDH1A1 (0.40) CDK1CDK5HTTCYP1A2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987383-B2 Triazine derivatives and application thereof NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2015-03-24 — — US disclosed
US-20130023629-A1 TRIAZINE DERIVATIVES AND APPLICATION THEREOF SHINRYO CORPORATION (JP) 2013-01-24 — — US disclosed
EP-2537833-A1 TRIAZINE DERIVATIVE, AND APPLICATION THEREOF Nippon Kasei Chemical Company Limited (JP) 2012-12-26 — — EP 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-20130023629-A1 TRIAZINE DERIVATIVES AND APPLICATION THEREOF HSPH1, PRDX3, PRXL2A POLB 2133/4885CDK1 1282/4885CDK5 386/4885

“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.

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