SCHEMBL2885789

SCHEMBL2885789

C[Si](C)(C)CCOCn1cc(Br)c2c(Cc3ccc(NC(=O)C(F)(F)F)cc3F)ccnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
DGAT1 O75907 2/20 0.34
BRAF P15056 2/20 0.33
RET P07949 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32
LYN P07948 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
BLK P51451 1/20 0.32
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2882722 0.91 EPHX2 (0.35) METDGAT1BRAFRETSMN1; SMN2
SCHEMBL2882862 0.85 MET (0.37) METBRAFSMN1; SMN2ABL1LCK
SCHEMBL4767990 0.83 ROCK2 (0.35) METDGAT1BRAF
SCHEMBL2887240 0.75 MET (0.34) METKDRMAPTEPHX2
SCHEMBL20588354 0.74 TBK1 (0.36) METDGAT1BRAFKITSRC
SCHEMBL29821889 0.74 TBK1 (0.35) METDGAT1BRAFF2RL1
SCHEMBL20587966 0.74 TBK1 (0.35) METDGAT1BRAFF2RL1
SCHEMBL21632538 0.74 DGAT1 (0.45) DGAT1F2RL1
SCHEMBL20587968 0.73 DGAT1 (0.33) DGAT1F2RL1
SCHEMBL29821587 0.73 ROCK2 (0.36) METDGAT1BRAFKITSRC

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-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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 (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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 MET 3468/4885DGAT1 4366/4885BRAF 1110/4885

“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.