SCHEMBL14312194

SCHEMBL14312194

C=CCNc1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CRHR1 P34998 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL14312266 0.89 GAA (0.40) GAAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL14312329 0.85 CRHR1 (0.33) CRHR1HTT
SCHEMBL14312144 0.85 GAA (0.50) GAAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL14312280 0.85 POLB (0.34) SMN1; SMN2CRHR1HTT
SCHEMBL14312267 0.85 GAA (0.50) GAAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL14312203 0.83 GAA (0.42) GAAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL14312193 0.79 POLB (0.33) SMN1; SMN2CRHR1HTT
SCHEMBL14236896 0.78 CRHR1 (0.43) GAAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL2262594 0.78 CRHR1 (0.43) GAAMAPTMAPK1CRHR1TSHR
SCHEMBL14312207 0.73 GAA (0.43) GAAMAPTMAPK1LMNASMN1; 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 GAA 2987/4885MAPT 2771/4885MAPK1 4162/4885

“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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