SCHEMBL5228959

SCHEMBL5228959

CSc1nc(Cl)c(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ TACR1 P25103 4/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ CETP P11597 3/20 0.34
▸ GPBAR1 Q8TDU6 5/20 0.33
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ P2RY14 Q15391 1/20 0.32
▸ SUV39H2 Q9H5I1 1/20 0.32

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
SCHEMBL5227594 0.95 CACNA1H (0.37) CACNA1HCACNA1BCACNA1CTACR1PARP1
Hydrochloric Acid SCHEMBL5235535 0.79 TACR1 (0.38) TACR1GPBAR1
SCHEMBL19300698 0.78 CETP (0.44) CACNA1HCACNA1BCACNA1CCETP
SCHEMBL6988118 0.78 TACR1 (0.51) TACR1CKS1BSKP1SKP2GPBAR1
SCHEMBL13887001 0.69 CACNA1H (0.54) CACNA1HCACNA1BCACNA1CTACR1
SCHEMBL23979680 0.68 HTT (0.51) STK17BSTK17AHTT
SCHEMBL4708294 0.67 MEN1 (0.38) TACR1CKS1BSKP1SKP2CETP
SCHEMBL14434370 0.67 TACR1 (0.37) TACR1GPBAR1
SCHEMBL24373446 0.66 HTT (0.49) STK17BSTK17AHTT
SCHEMBL6991255 0.66 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496059-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2007-08-15 — — EP disclosed
US-7064119-B2 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-20 — — US disclosed
US-20050159409-A1 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO. LTD. (JP) 2005-07-21 — — US disclosed
EP-1496059-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2005-01-12 — — EP 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-20050159409-A1 Fused bicyclic pyrimidine derivatives BDKRB1, BDKRB2, TACR1 CACNA1H 544/4885CACNA1B 499/4885CACNA1C 603/4885

“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.

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