SCHEMBL5227594

SCHEMBL5227594

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ TACR1 P25103 3/20 0.37
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ P2RY14 Q15391 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ CETP P11597 3/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ MC4R P32245 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
SCHEMBL5228959 0.95 CACNA1H (0.38) CACNA1HCACNA1BCACNA1CTACR1STK17B
SCHEMBL6988118 0.73 TACR1 (0.51) TACR1CKS1BSKP1SKP2GPBAR1
SCHEMBL19300698 0.73 CETP (0.44) CACNA1HCACNA1BCACNA1CCA14CETP
SCHEMBL14434370 0.70 TACR1 (0.37) TACR1GPBAR1
SCHEMBL24373446 0.69 HTT (0.49) STK17BSTK17AHTTTDP1BRD4
SCHEMBL13887001 0.67 CACNA1H (0.54) CACNA1HCACNA1BCACNA1CTACR1
SCHEMBL14433656 0.67 RHOC (0.48) CACNA1HCACNA1BCACNA1CTACR1STK17B
SCHEMBL23979680 0.67 HTT (0.51) STK17BSTK17AHTTTDP1MAPT
SCHEMBL24742277 0.66 SIGMAR1 (0.41) CACNA1HCACNA1BCACNA1CSTK17BSTK17A
SCHEMBL7522146 0.66 TACR1 (0.60) TACR1GPBAR1

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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