SCHEMBL5752653

SCHEMBL5752653

COc1cccc(-c2cc(Nc3ccc(C(C)(C)C)cc3)ncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 7/20 0.55
CYP3A4 P08684 7/20 0.55
CYP2D6 P10635 7/20 0.55
CYP2C19 P33261 7/20 0.55
TSHR P16473 6/20 0.55
CLK4 Q9HAZ1 6/20 0.55
MAPK1 P28482 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ABL1 P00519 6/20 0.54
BCR P11274 5/20 0.54
TRPV1 Q8NER1 2/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 3/20 0.52
THRB P10828 1/20 0.51

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
SCHEMBL5753112 0.88 TRPV1 (0.52) MAPK1TP53ABL1BCRTRPV1
SCHEMBL3910196 0.88 MEN1 (0.60) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL5752599 0.87 ABL1 (0.66) MAPK1ABL1BCRTRPV1
SCHEMBL5752852 0.86 MEN1 (0.62) MEN1KMT2ANPC1RAB9AABL1
SCHEMBL5753921 0.84 TRPV1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL5923900 0.83 TRPV1 (0.65) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL5753334 0.83 TRPV1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5923911 0.82 TRPV1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17022942 0.81 CYP1A2 (0.69) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL15492342 0.80 CYP1A2 (0.59) MEN1KMT2ANPC1RAB9ACYP1A2

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 3244/4885NPC1 3014/4885

“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.