SCHEMBL5228468

SCHEMBL5228468

CSc1nc2c(c(-c3ccc(F)cc3)n1)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.41
RIPK3 Q9Y572 2/20 0.33
GSK3B P49841 2/20 0.33
MAPK14 Q16539 2/20 0.33
POLB P06746 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNK3 O14649 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL5229260 0.92 TACR1 (0.41) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5225857 0.86 TACR1 (0.40) TACR1RIPK3POLBPSEN1PSEN2
SCHEMBL5226634 0.85 TACR1 (0.38) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5230402 0.85 TACR1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5236630 0.84 TACR1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL14433957 0.83 TACR1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5226289 0.82 P2RX3 (0.39) TACR1MAPK14KCNK3
SCHEMBL5230109 0.80 TACR1 (0.39) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5230152 0.80 TACR1 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5228204 0.79 TACR1 (0.41) TACR1POLBPSEN1PSEN2APH1B

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 3/4885RIPK3 2536/4885GSK3B 4844/4885

“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.