SCHEMBL5749673

SCHEMBL5749673

CCc1c(Nc2ccc(C(C)(C)C)cc2)ncnc1-c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ CLK4 Q9HAZ1 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ BRAF P15056 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2D6 P10635 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 2/20 0.41

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
SCHEMBL5753258 0.91 ABCG2 (0.53) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5754227 0.86 CYP1A2 (0.49) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5753205 0.75 ABCG2 (0.55) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5749757 0.75 ABCG2 (0.45) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5752653 0.74 MEN1 (0.56) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5753106 0.72 KDR (0.41) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5752197 0.70 CA9 (0.45) MAPK1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL21490327 0.69 MAPT (0.67) MAPK1MEN1KMT2ALMNATSHR
SCHEMBL5753112 0.68 TRPV1 (0.52) MAPK1LMNAMAPTKDM4ETRPV1
SCHEMBL6033057 0.68 TRPV1 (0.55) TRPV1

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 MAPK1 3408/4885CYP1A2 2438/4885CYP3A4 1789/4885

“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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