SCHEMBL1885533

SCHEMBL1885533

COc1cnc2[nH]cc(C(c3cnc(NCc4cc(F)cnc4OC)nc3)S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.48
CYP2C9 P11712 6/20 0.48
CSF1R P07333 2/20 0.42
CYP2C19 P33261 2/20 0.42
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CLK1 P49759 4/20 0.36
DYRK1A Q13627 4/20 0.36
AAK1 Q2M2I8 1/20 0.35
CYP1A2 P05177 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL1884464 0.78 CYP3A4 (0.51) CYP3A4CYP2C9CSF1RCYP2C19KIT
SCHEMBL1887106 0.74 CYP3A4 (0.82) CYP3A4CYP2C9CSF1RCYP2C19KIT
SCHEMBL4512512 0.71 CYP2C9 (0.42) CYP3A4CYP2C9CSF1RCYP2C19KIT
SCHEMBL1885535 0.71 CYP2C9 (0.47) CYP3A4CYP2C9
SCHEMBL1884732 0.70 CSF1R (0.68) CYP3A4CYP2C9CSF1RCYP2C19KIT
SCHEMBL1882955 0.70 CYP3A4 (0.45) CYP3A4CYP2C9CSF1RCYP2C19KIT
SCHEMBL1267014 0.69 CYP3A4 (0.51) CYP3A4CYP2C9CSF1RCYP2C19KIT
SCHEMBL1882746 0.68 CYP3A4 (0.88) CYP3A4CYP2C9CSF1RCYP2C19KIT
SCHEMBL2545189 0.67 PTGS2 (0.36) KDRAAK1
SCHEMBL1885299 0.67 CYP3A4 (0.83) CYP3A4CYP2C9CSF1RCYP2C19KIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US 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 (2 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885CSF1R 154/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885CSF1R 154/4885

“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.