SCHEMBL2881855

SCHEMBL2881855

C[Si](C)(C)CCOCn1ccc2c(Nc3ccc([N+](=O)[O-])cc3F)ccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.35
BMPR1B O00238 1/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
EGFR P00533 6/20 0.33
IGF1R P08069 6/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
RECQL P46063 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 0.84 S1PR4 (0.36) S1PR4EGFRIGF1RALDH1A1MAPT
SCHEMBL2885996 0.84 BMPR1B (0.36) BMPR1BACVR1BTGFBR1ACVRL1ACVR1
SCHEMBL4250279 0.83 S1PR4 (0.40) S1PR4EGFRIGF1RALDH1A1MAPT
SCHEMBL2887530 0.82 POLB (0.36) S1PR4ALDH1A1MAPTMEN1KMT2A
SCHEMBL2882599 0.81 CYP19A1 (0.33) S1PR4
SCHEMBL29822015 0.80 S1PR4 (0.32) S1PR4EGFRIGF1RKDR
SCHEMBL20587908 0.80 S1PR4 (0.32) S1PR4EGFRIGF1RKDR
SCHEMBL20588180 0.79 ALOX5AP (0.30) S1PR4
SCHEMBL2886241 0.79 MAPT (0.39) S1PR4ALDH1A1MAPTMEN1KMT2A
SCHEMBL31554580 0.77 S1PR4 (0.39) S1PR4ALDH1A1MAPTMEN1KMT2A

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 1342/4885BMPR1B 4503/4885ACVR1B 4258/4885

“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.