SCHEMBL5752224

SCHEMBL5752224

Cc1c(C2CCN(C(=O)OCc3ccccc3)CC2)nnc(-c2cccc(C(F)(F)F)c2)c1-c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.43
TRPC7 Q9HCX4 3/20 0.43
JAK3 P52333 3/20 0.43
EGFR P00533 1/20 0.43
CYP3A4 P08684 1/20 0.43
BRAF P15056 1/20 0.43
MAPK10 P53779 1/20 0.43
KCNH2 Q12809 1/20 0.43
ERBB4 Q15303 1/20 0.43
TRPV4 Q9HBA0 1/20 0.41
CETP P11597 1/20 0.41
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 2/20 0.40
F2R P25116 1/20 0.40
FAAH O00519 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
GRIN2B Q13224 1/20 0.36
SMO Q99835 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5753879 0.89 TRPC3 (0.42) TRPC3TRPC7JAK3TRPV4CETP
SCHEMBL7556151 0.88 MAPK13 (0.47) TRPC3TRPC7JAK3EGFRCYP3A4
SCHEMBL7670671 0.86 TRPC3 (0.43) TRPC3TRPC7JAK3EGFRCYP3A4
SCHEMBL5755616 0.86 TRPC3 (0.40) TRPC3TRPC7JAK3TRPV4CETP
SCHEMBL5785137 0.85 MAPK14 (0.54) TRPC3TRPC7MAPK13MAPK12MAPK11
SCHEMBL6170828 0.84 MAPK13 (0.49) TRPC3TRPC7JAK3EGFRCYP3A4
SCHEMBL6171325 0.84 MAPK13 (0.48) TRPC3TRPC7JAK3EGFRCYP3A4
SCHEMBL7529385 0.76 MAPK13 (0.48) TRPC3TRPC7JAK3TRPV4CETP
SCHEMBL7469105 0.75 TRPC3 (0.44) TRPC3TRPC7JAK3CYP3A4TRPV4
SCHEMBL7468591 0.74 TRPC3 (0.42) TRPC3TRPC7JAK3CYP3A4TRPV4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628665-A2 3-PHENYL-4-(PYRIMIDIN-2-YL)-6-(PIPERIDIN-4-YL) DERIVATIVES AND RELATED COMPOUNDS AS TNF-ALPHA AND IL-1 INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-03-01 EP disclosed
US-20040254178-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2004-12-16 US disclosed
WO-2004094379-A2 3-PHENYL-4- (PYRIMIDIN-2-YL) -6- (PIPERIDIN-4-YL) DERIVATIVES AND RELATED COMPOUNDS AS TNF-ALPHA AND IL-1 INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-11-04 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-20040254178-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, MUSK TRPC3 3311/4885TRPC7 4797/4885JAK3 424/4885

“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.