SCHEMBL2082891

SCHEMBL2082891

CSc1ncc2cc(-c3cccc([N+](=O)[O-])c3)c(=N)n(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
MET P08581 2/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
MAOB P27338 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PGR P06401 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2080266 0.88 CYP1A2 (0.41) MAPTCYP1A2METKMT2ARAB9A
SCHEMBL20564987 0.82 AKT1 (0.39) KMT2AMEN1
SCHEMBL29498208 0.72 LCK (0.41) MAPTMETPIP4K2C
SCHEMBL22660062 0.72 LCK (0.41) MAPTMETPIP4K2C
SCHEMBL5065448 0.70 ABL1 (0.56) METPIP4K2C
SCHEMBL21990257 0.70 ABL1 (0.53)
SCHEMBL2081638 0.70 CYP1A2 (0.44) MAPTCYP1A2METKMT2ARAB9A
SCHEMBL20564267 0.69 RIPK2 (0.41) MAPTCYP1A2METRAB9ANPC1
SCHEMBL15309855 0.69 MAPT (0.64) MAPTCYP1A2KMT2ARAB9ANPC1
SCHEMBL13120707 0.69 PLK1 (0.57) MAPTKMT2ARAB9ANPC1ALDH1A1

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 MAPT 3484/4885CYP1A2 1674/4885MET 132/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 MAPT 3185/4885CYP1A2 2430/4885MET 206/4885

“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.