SCHEMBL2887530

SCHEMBL2887530

C[Si](C)(C)CCOCn1cc(C(F)(F)F)c2c(Nc3ccc([N+](=O)[O-])cc3F)ccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 10/20 0.35
MAPT P10636 7/20 0.35
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
HTT P42858 4/20 0.34
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
TLR2 O60603 3/20 0.33
TLR1 Q15399 3/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
DGAT1 O75907 1/20 0.33
S1PR4 O95977 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 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
SCHEMBL2886824 0.89 S1PR4 (0.36) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL2881855 0.82 S1PR4 (0.35) ALDH1A1MAPTMEN1KMT2AS1PR4
SCHEMBL20587976 0.77 CYP1A2 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL29821793 0.75 CYP1A2 (0.40) ALDH1A1MAPK1DGAT1S1PR4
SCHEMBL4248870 0.74 S1PR4 (0.38) POLBALDH1A1MAPTMAPK1DGAT1
SCHEMBL2882420 0.74 DGAT1 (0.35) DGAT1
SCHEMBL2693139 0.72 DGAT1 (0.43) DGAT1
SCHEMBL30543178 0.72 DGAT1 (0.43) DGAT1
SCHEMBL20588159 0.72 MAP4K1 (0.36) DGAT1
SCHEMBL4818083 0.72 CYP19A1 (0.37) POLBALDH1A1MAPTLMNAMAPK1

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 POLB 122/4885ALDH1A1 598/4885MAPT 3319/4885

“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.