SCHEMBL2085654

SCHEMBL2085654

CCOC(=O)c1cccc(-n2nc(-c3ccccc3F)cc2N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.46
THRB P10828 1/20 0.46
JAK1 P23458 1/20 0.46
ESRRA P11474 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL2085677 0.85 RAB9A (0.56) THRBESRRAALDH1A1HPGDHSD17B10
SCHEMBL2079352 0.84 MAPK14 (0.47) ALDH1A1TP53MAPTRXFP1POLB
SCHEMBL4295664 0.81 KMT2A (0.56) ESRRAALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2083855 0.79 SMN1; SMN2 (0.49) ESRRAALDH1A1HPGDHSD17B10NPSR1
SCHEMBL2082148 0.79 NPC1 (0.44) ALDH1A1HPGDHSD17B10NPSR1TP53
SCHEMBL4051322 0.78 KLKB1 (0.49) THRBESRRAALDH1A1HPGDHSD17B10
SCHEMBL2085500 0.78 ATM (0.47) THRBESRRAALDH1A1HPGDHSD17B10
SCHEMBL398334 0.77 ALDH1A1 (0.48) THRBESRRAALDH1A1HPGDHSD17B10
SCHEMBL4233638 0.75 ATM (0.45) THRBESRRAALDH1A1HPGDHSD17B10
SCHEMBL16317160 0.75 ATM (0.45) THRBESRRAALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK TYK2 232/4885THRB 2440/4885JAK1 21/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 TYK2 395/4885THRB 1594/4885JAK1 81/4885

“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.