SCHEMBL5225857

SCHEMBL5225857

CS(=O)(=O)c1nc2c(c(-c3ccc(F)cc3)n1)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.40
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
SDHB P21912 3/20 0.33
RIPK3 Q9Y572 1/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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
SCHEMBL5228204 0.92 TACR1 (0.41) TACR1ALDH1A1LMNASTAT3STAT1
SCHEMBL5228468 0.86 TACR1 (0.41) TACR1ALDH1A1RIPK3PSEN1PSEN2
SCHEMBL5225462 0.85 SDHB (0.40) TACR1SDHBPSEN1PSEN2APH1B
SCHEMBL5231461 0.85 HPGD (0.42) TACR1KDM4EMITFALDH1A1LMNA
SCHEMBL13891738 0.84 TACR1 (0.41) TACR1KDM4EMITFALDH1A1LMNA
SCHEMBL5226289 0.81 P2RX3 (0.39) TACR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5226972 0.81 SDHB (0.40) TACR1SDHBPTGS2PSEN1PSEN2
SCHEMBL5229260 0.79 TACR1 (0.41) TACR1KDM4EALDH1A1SMN1; SMN2PSEN1
SCHEMBL5232522 0.74 MET (0.40) TACR1MEN1CYP1A2CYP3A4TSHR
SCHEMBL13891759 0.73 TACR1 (0.37) 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 3/4885KDM4E 3321/4885MITF 2629/4885

“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.