SCHEMBL5405596

SCHEMBL5405596

CC#CCOc1cc(Cc2ccccc2Br)ncn1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
ADORA2A P29274 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
DHFR P00374 1/20 0.30
KDR P35968 1/20 0.30
SLC2A1 P11166 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
SCHEMBL5417036 0.86 KDR (0.33) AURKARPS6KB1ALDH1A1KDR
SCHEMBL5413218 0.85 PDE5A (0.32) IDO1AURKARPS6KB1TAAR1ALDH1A1
SCHEMBL3694486 0.85 HTR2C (0.34) IDO1TAAR1ALDH1A1CDC7DBF4
SCHEMBL5402129 0.81 CSF1R (0.36) IDO1AURKARPS6KB1EGFRCDC7
SCHEMBL5415909 0.81 NAE1 (0.39) EGFRALDH1A1
SCHEMBL5414191 0.80 KMT2A (0.35) AURKARPS6KB1ADORA2A
SCHEMBL5409941 0.78 MPO (0.34) EGFR
SCHEMBL6932971 0.76 KDM4E (0.34) AURKARPS6KB1TAAR1ALDH1A1
SCHEMBL5407765 0.76 ELOVL1 (0.34) IDO1AURKARPS6KB1
SCHEMBL5417048 0.75

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 IDO1 1097/4885AURKA 302/4885RPS6KB1 1469/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD IDO1 1232/4885AURKA 192/4885RPS6KB1 1762/4885

“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.