SCHEMBL2884986

SCHEMBL2884986

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.36
MAPT P10636 1/20 0.31
LMNA P02545 3/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2885456 0.89 DGAT1 (0.37) DGAT1NPC1
SCHEMBL29663834 0.81 DGAT1 (0.43) DGAT1
SCHEMBL29854683 0.81 DGAT1 (0.38) DGAT1MAPT
SCHEMBL2693867 0.81 DGAT1 (0.38) DGAT1MAPT
SCHEMBL20422628 0.81 DGAT1 (0.43) DGAT1
SCHEMBL2888150 0.81 DGAT1 (0.41) DGAT1NPC1
SCHEMBL30417928 0.80 DGAT1 (0.32) DGAT1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2886201 0.80 DGAT1 (0.32) DGAT1MAPTLMNASMN1; SMN2MEN1
SCHEMBL29854576 0.79 DGAT1 (0.37) DGAT1MAPT
SCHEMBL27203910 0.79 DGAT1 (0.37) DGAT1MAPT

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 DGAT1 4366/4885MAPT 3319/4885LMNA 419/4885

“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.