SCHEMBL5230109

SCHEMBL5230109

CSc1nc2c(c(-c3ccccc3C)n1)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCN2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.39
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
ADRB2 P07550 1/20 0.36
FPR1 P21462 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
GLP1R P43220 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL5230402 0.96 TACR1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5226972 0.86 SDHB (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5236630 0.85 TACR1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5229260 0.84 TACR1 (0.41) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5229635 0.83 TACR1 (0.41) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL13891760 0.83 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL5225462 0.82 SDHB (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5230152 0.82 TACR1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5230370 0.82 TACR1 (0.45) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5225834 0.81 TACR1 (0.44) TACR1PSEN1PSEN2APH1BNCSTN

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-1496059-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2007-08-15 EP disclosed
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 TACR1 3/4885PSEN1 4147/4885PSEN2 4165/4885

“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.