SCHEMBL5407765

SCHEMBL5407765

CC#CCOc1cc(Cc2ccc(F)cc2F)ncn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
TRPA1 O75762 2/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAOB P27338 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
PTGER1 P34995 2/20 0.31
CYP19A1 P11511 1/20 0.31
MAP2K7 O14733 1/20 0.31
MPO P05164 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL5413218 0.86 PDE5A (0.32) IDO1AURKARPS6KB1HTR2AHTR2C
SCHEMBL5402147 0.83 ELOVL1 (0.42) ELOVL1HTR2CCYP19A1
SCHEMBL5414191 0.81 KMT2A (0.35) AURKARPS6KB1MPO
SCHEMBL5405126 0.80 TAAR1 (0.35) IDO1AGXTAURKARPS6KB1AURKB
SCHEMBL5417048 0.80
SCHEMBL5409941 0.77 MPO (0.34) MPO
SCHEMBL5407156 0.77 NPSR1 (0.36)
SCHEMBL5413176 0.77 KMO (0.46) ELOVL1CYP19A1
SCHEMBL5417036 0.77 KDR (0.33) AURKARPS6KB1
SCHEMBL5416018 0.77 RXRA (0.31)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO 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 (2 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ELOVL1 4231/4885IDO1 1097/4885AGXT 941/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD ELOVL1 4405/4885IDO1 1232/4885AGXT 1673/4885

“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.