SCHEMBL17627072

SCHEMBL17627072

Cc1c[nH]nc1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALPL P05186 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
AR P10275 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL15175206 0.80 NR1H3 (0.40) KMT2AMEN1NR1H2NR1H3ALPL
SCHEMBL3582476 0.79 SCN2A (0.42) KMT2AMEN1ALPLALDH1A1CASP3
SCHEMBL3583148 0.76 SCN2A (0.47) KMT2AMEN1ALDH1A1POLBHTT
SCHEMBL27510936 0.72 MEN1 (0.49) KMT2AMEN1NR1H2NR1H3ALPL
SCHEMBL16473693 0.71 ALDH1A1 (0.42) KMT2AMEN1ALPLALDH1A1CASP3
SCHEMBL5341631 0.70 POLB (0.49) KMT2AMEN1NR1H2NR1H3ALDH1A1
SCHEMBL26351127 0.70 CYP3A4 (0.34) ALPLALDH1A1CASP3HTT
SCHEMBL23860829 0.69 MEN1 (0.45) KMT2AMEN1NR1H2NR1H3ALDH1A1
SCHEMBL23861037 0.68 MEN1 (0.41) KMT2AMEN1NR1H3ALDH1A1POLB
SCHEMBL17610274 0.67 ALDH1A1 (0.47) NR1H2NR1H3ALPLALDH1A1POLB

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
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-2999338-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2016-03-30 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 (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-20160106102-A1 KNOWN AND NEW HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, ACHE, NISCH KMT2A 831/4885MEN1 2294/4885NR1H2 4379/4885

“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.