SCHEMBL5225743

SCHEMBL5225743

Cc1ccccc1-c1nc(N2CCOCC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.42
RAF1 P04049 9/20 0.40
BRAF P15056 8/20 0.40
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL5232458 0.85 TACR1 (0.40) TACR1RAF1BRAFGPBAR1
SCHEMBL5229635 0.85 TACR1 (0.41) TACR1GPBAR1
SCHEMBL5232743 0.83 TACR1 (0.40) TACR1GPBAR1
SCHEMBL13891719 0.81 TACR1 (0.48) TACR1BRAF
SCHEMBL5230814 0.81 TACR1 (0.44) TACR1
SCHEMBL5231577 0.79 TACR1 (0.39) TACR1RAF1BRAF
SCHEMBL13891717 0.78 ADRB2 (0.43) TACR1GPBAR1
SCHEMBL6508415 0.78 TACR1 (0.44) TACR1
SCHEMBL29373661 0.78 TACR1 (0.44) TACR1
SCHEMBL13891764 0.78 PIK3R1 (0.38) 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 TACR1 3/4885RAF1 479/4885BRAF 863/4885

“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.