SCHEMBL2616892

SCHEMBL2616892

COC(=O)c1ccc(CNC=O)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.44
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PTGER2 P43116 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 1/20 0.38
GABRA5 P31644 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7929473 0.87 SMN1; SMN2 (0.46) MAPK1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL6205934 0.83 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL13637641 0.81 MAPK1 (0.56) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL23981795 0.81 KMT2A (0.41) MAPK1KDM4EALDH1A1KMT2ATDP1
SCHEMBL16880702 0.80 MAPK1 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL31747421 0.79 MAPK1 (0.50) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL29695095 0.79 MAPK1 (0.61) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL204895 0.79 MAPK1 (0.61) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL1441132 0.79 MAPK1 (0.61) MAPK1KDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL31747471 0.78 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ALDH1A1MAPT

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 10 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-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
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-5547961-A USING TETRAHYDROIMIDAZOPYRIDINE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-08-20 US disclosed
US-5336679-A Treatment of irritable bowel syndrome YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-08-09 US disclosed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP 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 MAPK1 72/4885KDM4E 1665/4885L3MBTL1 2123/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPK1 43/4885KDM4E 1061/4885L3MBTL1 1456/4885

“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.