SCHEMBL14312097

SCHEMBL14312097

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ MAPT P10636 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14312244 0.96 GAA (0.53) GAAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL10891276 0.83 MAPT (0.62) GAAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL14312203 0.83 GAA (0.42) GAAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL23181 0.81 MAPK1 (0.55) MAPTMAPK1TSHRPOLBALDH1A1
SCHEMBL14312207 0.81 GAA (0.43) GAAMAPTMAPK1SMN1; SMN2NPC1
Hydrogen Sulfide SCHEMBL20395887 0.79 MAPK1 (0.53) MAPTMAPK1TSHRPOLBALDH1A1
SCHEMBL11881122 0.78 MAPT (0.43) GAAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL10921913 0.78 GAA (0.80) GAAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL8073238 0.78 SLC29A1 (0.43) GAAMAPTMAPK1SMN1; SMN2NPC1
SCHEMBL14312267 0.78 GAA (0.50) GAAMAPTMAPK1SMN1; SMN2NPC1

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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