SCHEMBL481960

SCHEMBL481960

O=C(O)n1cnc2cc(Br)cnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
ENPP3 O14638 3/20 0.36
ENPP1 P22413 2/20 0.36
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DYRK1A Q13627 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTPN7 P35236 3/20 0.32
FGFR1 P11362 2/20 0.32
FGFR4 P22455 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL482190 0.77 HSD17B10 (0.35) HSD17B10ENPP3ENPP1GRM5ALDH1A1
SCHEMBL482397 0.76 GRM5 (0.38) GRM5SMN1; SMN2
SCHEMBL29248590 0.74 ALDH1A1 (0.32) HSD17B10GRM5ALDH1A1TDP1
SCHEMBL482160 0.72 SIK1 (0.45) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL3389333 0.72 GRM5 (0.49) HSD17B10GRM5ALDH1A1MAPTKMT2A
SCHEMBL857137 0.71 GRM5 (0.36) HSD17B10ENPP3ENPP1GRM5MEN1
SCHEMBL29196627 0.69 DYRK1A (0.33) MEN1KMT2ADYRK1ASMN1; SMN2
SCHEMBL12502297 0.69 FABP4 (0.40) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL1564184 0.69 HSD17B10 (0.38) HSD17B10ENPP3ENPP1ALDH1A1POLB
SCHEMBL1564496 0.69 SLC22A12 (0.36) HSD17B10ENPP3ENPP1ALDH1A1POLB

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 HSD17B10 1492/4885ENPP3 3606/4885ENPP1 3027/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 HSD17B10 994/4885ENPP3 3458/4885ENPP1 3081/4885

“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.