SCHEMBL481810

SCHEMBL481810

Cc1cc(Br)ccc1-c1ncn(C2CCCCO2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
FLT3 P36888 4/20 0.34
CRHR1 P34998 1/20 0.33
RET P07949 5/20 0.32
ABL1 P00519 1/20 0.31
ATR Q13535 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
S1PR1 P21453 1/20 0.31
YTHDC1 Q96MU7 1/20 0.31
DRD1 P21728 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
SCHEMBL482385 0.80 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL29521977 0.80 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19RETABL1
SCHEMBL152264 0.80 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19RETABL1
SCHEMBL25260995 0.79 CYP1A2 (0.37) CYP4F2CYP4A11CYP2C19HPGDRET
SCHEMBL482277 0.79 CYP4F2 (0.36) CYP4F2CYP4A11CYP2C19FLT3RET
SCHEMBL22449803 0.79 AHR (0.35) CYP2C19HPGDHTTFLT3
SCHEMBL137046 0.77 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19FLT3RET
SCHEMBL29522156 0.77 CYP4F2 (0.35) CYP4F2CYP4A11CYP2C19FLT3RET
SCHEMBL153542 0.74 CYP2C19 (0.35) CYP4F2CYP4A11CYP2C19FLT3RET
SCHEMBL15176842 0.73 CYP4F2 (0.39) CYP4F2CYP4A11CYP2C19RETATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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 (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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA CYP4F2 1037/4885CYP4A11 529/4885CYP2C19 2518/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 CYP4F2 824/4885CYP4A11 356/4885CYP2C19 1570/4885

“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.