SCHEMBL482192

SCHEMBL482192

CCOC(=O)CNC(=O)Nc1ncc(Br)nc1-n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.43
PPID Q08752 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MLYCD O95822 1/20 0.36
MMP3 P08254 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
SCHEMBL482295 0.79 ALDH1A1 (0.46) FPR2PPIDALDH1A1HPGDHSD17B10
SCHEMBL137028 0.67 L3MBTL1 (0.50) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL15001194 0.67 L3MBTL1 (0.50) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL155618 0.65 L3MBTL1 (0.48) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL13530693 0.65 MMP3 (0.44) PPIDALDH1A1HPGDHSD17B10LMNA
SCHEMBL28789302 0.64 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10LMNAKDM4E
SCHEMBL8871049 0.64 ALDH1A1 (0.42) PPIDALDH1A1HPGDHSD17B10LMNA
SCHEMBL10192183 0.64 PPID (0.62) PPIDALDH1A1HPGDHSD17B10KDM4E
SCHEMBL848210 0.63 RAB9A (0.58) PPIDALDH1A1KDM4EMAPTMEN1
SCHEMBL154023 0.63 L3MBTL1 (0.46) ALDH1A1HPGDHSD17B10KDM4EMAPT

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 FPR2 784/4885PPID 3983/4885ALDH1A1 2178/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 FPR2 1013/4885PPID 3534/4885ALDH1A1 1934/4885

“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.