SCHEMBL5228863

SCHEMBL5228863

CC(=O)NC1CCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN3)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.38
P2RX3 P56373 1/20 0.37
SMPD3 Q9NY59 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SYK P43405 1/20 0.36
MCHR1 Q99705 1/20 0.36
PDE2A O00408 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
SMO Q99835 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CREBBP Q92793 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

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
SCHEMBL5228816 0.96 TACR1 (0.40) TACR1SMOTSHRKMT2APSEN1
SCHEMBL13891621 0.87 TACR1 (0.38) TACR1P2RX3SMPD3TRPV1SYK
SCHEMBL5230354 0.86 SMO (0.40) TACR1SMOTSHRKMT2APSEN1
SCHEMBL5225571 0.86 TACR1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5226991 0.86 TACR1 (0.40) TACR1
SCHEMBL5233229 0.85 TACR1 (0.42) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5228486 0.85 TACR1 (0.44) TACR1P2RX3SMOTSHRPSEN1
SCHEMBL5227753 0.85 TACR1 (0.40) TACR1TSHRKMT2A
SCHEMBL5230451 0.84 HSD17B10 (0.38) TACR1TSHRKMT2AITGB2ICAM1
SCHEMBL5226749 0.84 TACR1 (0.37) TACR1MCHR1PSEN1PSEN2APH1B

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 3/4885P2RX3 135/4885SMPD3 4570/4885

“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.