SCHEMBL5754394

SCHEMBL5754394

COc1cccc(-c2ncnc(Nc3ccc(C(F)(F)F)cc3O)c2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.47
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ MAPT P10636 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ RET P07949 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5754077 0.86 RET (0.45) ABCG2MAPTRETALDH1A1HTT
SCHEMBL1292949 0.70 MAPT (0.43) ABCG2MAPTALDH1A1HTTGAK
SCHEMBL5753205 0.69 ABCG2 (0.55) DHODHABCG2TDP1GAKSMN1; SMN2
SCHEMBL5753258 0.68 ABCG2 (0.53) DHODHABCG2MAPTTDP1ALDH1A1
SCHEMBL8792107 0.66 DYRK1A (0.46) ABCG2HTTSMN1; SMN2KDM4ENPC1
SCHEMBL30845454 0.66 MAPT (0.45) MAPTTDP1ALDH1A1BRAF
SCHEMBL29265304 0.66 MAPT (0.45) MAPTTDP1ALDH1A1BRAF
SCHEMBL2388022 0.65 ALK (0.44) MAPK1
SCHEMBL2387912 0.65 MEN1 (0.41) ABCG2MAPTGAKNPC1MAPK1
SCHEMBL5801619 0.65 TRPV1 (0.53) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651619-A1 SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-05-03 — — EP claimed
WO-2005009977-A1 SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-03 — — WO claimed
US-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands NEUROGEN CORPORATION (US) 2006-10-12 — — US disclosed
EP-1651619-A1 SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-05-03 — — EP disclosed
WO-2005009977-A1 SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-03 — — WO 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-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands TRPV1, GPR17, TRPV2 DHODH 2291/4885ABCG2 812/4885MAPT 4343/4885

“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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