SCHEMBL2085095

SCHEMBL2085095

CCOC(=O)c1cc(NN)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 7/20 0.55
CDC25A P30304 2/20 0.51
CDC25C P30307 2/20 0.51
TSHR P16473 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 1/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CNR2 P34972 1/20 0.46
APAF1 O14727 1/20 0.46
CASP3 P42574 1/20 0.46
CASP6 P55212 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR6 P51684 1/20 0.45

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
Hydrochloric Acid SCHEMBL2080671 0.99 CDC25B (0.53) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL2081659 0.81 CDC25B (0.58) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL22545768 0.81 CDC25B (0.61) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL29549247 0.81 CDC25B (0.61) CDC25BCDC25ACDC25CTSHRKDM4E
Hydrochloric Acid SCHEMBL6984770 0.80 CDC25B (0.57) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL5751518 0.80 CDC25B (0.60) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL15935996 0.80 CDC25B (0.60) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL11059126 0.80 CDC25B (0.60) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL14141531 0.79 TSHR (0.59) CDC25BCDC25ACDC25CTSHRKDM4E
SCHEMBL11447374 0.78 HPGD (0.53) CDC25BTSHRKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
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 CDC25B 626/4885CDC25A 595/4885CDC25C 635/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CDC25B 1643/4885CDC25A 1591/4885CDC25C 1676/4885

“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.