SCHEMBL5749757

SCHEMBL5749757

COc1cccc(-c2nc(C)nc(Nc3ccc(C(C)(C)C)cc3)c2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.45
▸ MAPT P10636 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42
▸ TUBB2A Q13885 2/20 0.42
▸ TUBB8 Q3ZCM7 2/20 0.42
▸ TUBA3E Q6PEY2 2/20 0.42
▸ TUBA1A Q71U36 2/20 0.42

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
SCHEMBL5752420 0.90 ABCG2 (0.56) ABCG2MAPTMAPK1LMNASMN1; SMN2
SCHEMBL5752197 0.85 CA9 (0.45) ABCG2MAPTMAPK1LMNASMN1; SMN2
SCHEMBL5754227 0.84 CYP1A2 (0.49) ABCG2MAPTMAPK1LMNASMN1; SMN2
SCHEMBL5753588 0.81 PIK3CA (0.49) MAPTMAPK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL5749673 0.75 MAPK1 (0.47) ABCG2MAPTMAPK1LMNASMN1; SMN2
SCHEMBL5754023 0.72 MAPK1 (0.55) ABCG2MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL21490327 0.72 MAPT (0.67) MAPTMAPK1LMNASMN1; SMN2NPC1
SCHEMBL12297372 0.71 CSNK2A1 (0.69) MAPTSMN1; SMN2NPC1HTTRAB9A
SCHEMBL5752653 0.70 MEN1 (0.56) MAPK1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5753106 0.70 KDR (0.41) MAPTMAPK1NPC1RAB9ACYP1A2

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 ABCG2 812/4885MAPT 4343/4885MAPK1 3408/4885

“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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