SCHEMBL5752599

SCHEMBL5752599

CC(C)(C)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)ncn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.66
BCR P11274 18/20 0.66
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
TRPV1 Q8NER1 1/20 0.53

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 0.87 MEN1 (0.56) ABL1BCRMAPK1TRPV1
SCHEMBL5753112 0.85 TRPV1 (0.52) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL5753334 0.82 TRPV1 (0.56) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL17487030 0.82 ABL1 (0.76) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL5753921 0.81 TRPV1 (0.57) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL5923900 0.81 TRPV1 (0.65) ABL1BCRMAPTMAPK1TRPV1
SCHEMBL3450466 0.80 ABL1 (0.79) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL22440745 0.80 ABL1 (0.76) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL3900043 0.80 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL10013582 0.78 ABL1 (1.00) ABL1BCRKDM4EMAPTMAPK1

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 ABL1 3315/4885BCR 1838/4885KDM4E 2765/4885

“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.