SCHEMBL2886824

SCHEMBL2886824

Cc1cn(COCC[Si](C)(C)C)c2nccc(Nc3ccc([N+](=O)[O-])cc3F)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.36
MAPT P10636 9/20 0.33
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DGAT1 O75907 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
POLB P06746 1/20 0.31
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
P2RX7 Q99572 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
SCHEMBL2887530 0.89 POLB (0.36) S1PR4MAPTALDH1A1KMT2AMEN1
SCHEMBL2882420 0.85 DGAT1 (0.35) DGAT1
SCHEMBL2881855 0.84 S1PR4 (0.35) S1PR4MAPTALDH1A1KMT2AMEN1
SCHEMBL2884986 0.78 DGAT1 (0.36) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4248870 0.76 S1PR4 (0.38) S1PR4MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL4818083 0.74 CYP19A1 (0.37) S1PR4MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29822033 0.73 S1PR4 (0.36) S1PR4MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL20588209 0.73 DGAT1 (0.33) S1PR4DGAT1
SCHEMBL29822315 0.73 S1PR4 (0.31) S1PR4
SCHEMBL29822170 0.73 DGAT1 (0.33) S1PR4DGAT1

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 S1PR4 1342/4885MAPT 3319/4885ALDH1A1 598/4885

“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.