SCHEMBL5402129

SCHEMBL5402129

CC#CCOc1cc(Cc2ccccc2C(F)(F)F)ncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT3 P36888 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
EGFR P00533 2/20 0.35
IDO1 P14902 2/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 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
SCHEMBL5413218 0.84 PDE5A (0.32) IDO1TSHRLMNATP53AURKA
SCHEMBL5417036 0.83 KDR (0.33) KITUSP2AURKARPS6KB1
SCHEMBL3694486 0.81 HTR2C (0.34) IDO1CDC7DBF4CYP1A2CYP3A4
SCHEMBL5405596 0.81 IDO1 (0.33) EGFRIDO1CDC7DBF4AURKA
SCHEMBL5414191 0.80 KMT2A (0.35) AURKARPS6KB1
SCHEMBL5415909 0.78 NAE1 (0.39) EGFRTSHRLMNAMAPK1MAP2K7
SCHEMBL5409941 0.78 MPO (0.34) EGFR
SCHEMBL6932971 0.76 KDM4E (0.34) TSHRLMNATP53AURKARPS6KB1
SCHEMBL5407765 0.76 ELOVL1 (0.34) IDO1AURKARPS6KB1AURKBMAOB
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 CSF1R 3158/4885PDGFRB 473/4885KIT 1358/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD CSF1R 3519/4885PDGFRB 358/4885KIT 1274/4885

“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.