SCHEMBL2888006

SCHEMBL2888006

Cc1ccc(S(=O)(=O)n2cc(F)c3c(Nc4ccc([N+](=O)[O-])cc4F)ccnc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.37
LMNA P02545 4/20 0.36
HSP90AA1 P07900 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
CYP19A1 P11511 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
CXCR5 P32302 1/20 0.35
APLNR P35414 1/20 0.35
CCR6 P51684 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL2885747 0.73 L3MBTL1 (0.46) ALDH1A1HTTPKML3MBTL1POLB
SCHEMBL20589682 0.72 CA1 (0.35) METLMNAHSP90AA1KMT2AMAPT
SCHEMBL29821688 0.72 CA1 (0.35) METLMNAHSP90AA1KMT2AMAPT
SCHEMBL2886241 0.70 MAPT (0.39) METLMNAKMT2AALDH1A1MAPT
SCHEMBL2881321 0.70 CDK4 (0.41) LMNAKMT2AALDH1A1MAPTHTT
SCHEMBL2887002 0.70 PTK6 (0.45) METLMNAKMT2AALDH1A1MAPT
SCHEMBL2886824 0.70 S1PR4 (0.36) LMNACRHBPCRHR2KMT2AALDH1A1
SCHEMBL23148125 0.70 L3MBTL1 (0.48) HTTPKML3MBTL1POLB
SCHEMBL29813487 0.70 L3MBTL1 (0.48) HTTPKML3MBTL1POLB
SCHEMBL20657645 0.69 CRHBP (0.64) LMNAHSP90AA1CRHBPCRHR2KMT2A

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 10 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
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
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
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 3468/4885LMNA 419/4885HSP90AA1 1485/4885

“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.