SCHEMBL17801701

SCHEMBL17801701

Nc1ccc2nc(-c3cncc(F)c3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.69
MAPT P10636 7/20 0.63
KDM4E B2RXH2 6/20 0.63
GAA P10253 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
GLA P06280 4/20 0.63
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 3/20 0.60
PKM P14618 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 3/20 0.58
TP53 P04637 2/20 0.58
PTBP1 P26599 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
THRB P10828 1/20 0.57

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 SCHEMBL22130203 0.99 APP (0.68) APPMAPTKDM4EGAANPC1
SCHEMBL13806256 0.82 APP (1.00) APPMAPTKDM4EGAANPC1
SCHEMBL31219254 0.82 APP (1.00) APPMAPTKDM4EGAANPC1
Hydrochloric Acid SCHEMBL22130142 0.82 MAPT (0.61) APPMAPTKDM4EGAANPC1
SCHEMBL6854930 0.80 MAPT (0.96) APPMAPTKDM4EGAANPC1
SCHEMBL16568908 0.80 KDM4E (0.64) APPMAPTKDM4EGAANPC1
SCHEMBL11778594 0.78 MAPT (0.70) APPMAPTKDM4EGAANPC1
SCHEMBL1995933 0.78 MAPT (1.00) APPMAPTKDM4EGAANPC1
SCHEMBL2174265 0.77 MAPT (0.78) APPMAPTKDM4EGAANPC1
Hydrochloric Acid SCHEMBL22130206 0.77 MAPT (0.68) APPMAPTKDM4EGAANPC1

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
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 APP 1491/4885MAPT 3026/4885KDM4E 1943/4885

“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.