SCHEMBL5752852

SCHEMBL5752852

COc1ccc(-c2cc(Nc3ccc(C(C)(C)C)cc3)ncn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TRPV1 Q8NER1 2/20 0.61
ABL1 P00519 13/20 0.57
BCR P11274 13/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57

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
SCHEMBL5752653 0.86 MEN1 (0.56) MEN1KMT2ATRPV1ABL1BCR
SCHEMBL3910196 0.86 MEN1 (0.60) MEN1KMT2ATRPV1ABL1BCR
SCHEMBL5923911 0.85 TRPV1 (0.56) MEN1KMT2ATRPV1ABL1BCR
SCHEMBL4109259 0.84 MEN1 (0.66) MEN1KMT2AABL1BCRNPC1
SCHEMBL5752589 0.84 TRPV1 (0.63) MEN1KMT2ATRPV1ABL1BCR
SCHEMBL5923900 0.84 TRPV1 (0.65) MEN1KMT2ATRPV1ABL1BCR
SCHEMBL1013229 0.84 TRPV1 (0.65) MEN1KMT2ATRPV1ABL1BCR
SCHEMBL28001138 0.80 ABL1 (0.67) MEN1KMT2AABL1BCR
SCHEMBL25479846 0.79 MEN1 (0.58) MEN1KMT2AABL1BCRNPC1
SCHEMBL5473957 0.79 MEN1 (0.62) MEN1KMT2ANPC1RAB9A

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 MEN1 4029/4885KMT2A 3244/4885TRPV1 1/4885

“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.