SCHEMBL5753334

SCHEMBL5753334

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.56
ABL1 P00519 9/20 0.53
BCR P11274 8/20 0.53
CYP1A2 P05177 4/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP3A4 P08684 3/20 0.51
MAPK1 P28482 3/20 0.51
USP2 O75604 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5753921 0.86 TRPV1 (0.57) TRPV1ABL1BCRCYP1A2CYP2D6
SCHEMBL5923900 0.85 TRPV1 (0.65) TRPV1ABL1BCRCYP1A2CYP2D6
SCHEMBL5752653 0.83 MEN1 (0.56) TRPV1ABL1BCRCYP1A2CYP2D6
SCHEMBL5752599 0.82 ABL1 (0.66) TRPV1ABL1BCRMAPK1MAPT
SCHEMBL5753112 0.81 TRPV1 (0.52) TRPV1ABL1BCRMAPK1TP53
SCHEMBL26424222 0.81 CYP1A2 (0.62) TRPV1ABL1BCRCYP1A2CYP2D6
SCHEMBL1013229 0.80 TRPV1 (0.65) TRPV1ABL1BCRCYP1A2CYP2D6
SCHEMBL5752589 0.78 TRPV1 (0.63) TRPV1ABL1BCRCYP1A2CYP2D6
SCHEMBL5477111 0.77 JAK3 (0.53) TRPV1ABL1CLK4MAPTEGFR
SCHEMBL4663982 0.77 CYP1A2 (0.54) ABL1BCRCYP1A2CYP2D6CYP2C19

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 TRPV1 1/4885ABL1 3315/4885BCR 1838/4885

“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.