SCHEMBL5752197

SCHEMBL5752197

COc1cccc(-c2nc(C)nc(Nc3ccc(C(C)(C)C)cc3)c2S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 2/20 0.45
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39

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
SCHEMBL5749757 0.85 ABCG2 (0.45) CA9MAPTLMNANPC1MAPK1
SCHEMBL5752420 0.76 ABCG2 (0.56) CA9MAPTLMNANPC1MAPK1
SCHEMBL5754227 0.75 CYP1A2 (0.49) CA9MAPTLMNANPC1MAPK1
SCHEMBL5749673 0.70 MAPK1 (0.47) CA9MAPTLMNANPC1MAPK1
SCHEMBL5753588 0.69 PIK3CA (0.49) MAPTMAPK1SMN1; SMN2POLBCYP1A2
SCHEMBL21490327 0.67 MAPT (0.67) MAPTLMNANPC1MAPK1STAT1
SCHEMBL12297372 0.67 CSNK2A1 (0.69) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL5752653 0.66 MEN1 (0.56) LMNANPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL12591816 0.65 ABL1 (0.55) MAPTLMNANPC1MAPK1STAT1
SCHEMBL5753205 0.65 ABCG2 (0.55) CA9LMNANPC1MAPK1RAB9A

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 CA9 4269/4885MAPT 4343/4885LMNA 3844/4885

“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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