SCHEMBL1935857

SCHEMBL1935857

NCc1ccccc1Cc1nc2nc(N)[nH]c(=O)c2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.69
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL1938287 0.88 PNP (0.71) PNPFGFR1FGFR2KDM4EMEN1
Hydrochloric Acid SCHEMBL17186418 0.85 PNP (0.67) PNPFGFR1FGFR2KDM4EMEN1
SCHEMBL9235490 0.85 PNP (0.67) PNPFGFR1FGFR2
SCHEMBL9434929 0.85 PNP (0.71) PNPFGFR1FGFR2
SCHEMBL9283418 0.84 PNP (0.66) PNPFGFR1FGFR2
SCHEMBL18248 0.82 PNP (1.00) PNPFGFR1FGFR2KMT2A
SCHEMBL9960811 0.81 PNP (0.71) PNPFGFR1FGFR2KDM4EMEN1
SCHEMBL985175 0.81 PNP (0.77) PNPFGFR1FGFR2
SCHEMBL3304327 0.80 PNP (0.60) PNPFGFR1FGFR2KDM4EMEN1
Hydrochloric Acid SCHEMBL2777605 0.80 PNP (0.75) PNPFGFR1FGFR2

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-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 US disclosed
EP-2331510-B1 SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) AND THEIR USE IN METHOD OF LABELLING ION BEAM APPLIC SA (BE) 2013-11-06 EP disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 US disclosed
EP-2331510-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS Bio International (FR) 2011-06-15 EP disclosed
WO-2010034931-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS-BIO INTERNATIONAL (FR) 2010-04-01 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 (1 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG PNP 147/4885FGFR1 4435/4885FGFR2 3682/4885

“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.