SCHEMBL16600441

SCHEMBL16600441

Nc1cc(-c2cc3ccccc3s2)c(N)cc1-c1cc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.59
CA2 P00918 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CYP2A6 P11509 3/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MGLL Q99685 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
IKBKB O14920 1/20 0.44
NQO1 P15559 1/20 0.44
NQO2 P16083 1/20 0.44
HDAC2 Q92769 1/20 0.43
AGXT P21549 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL398852 0.86 APP (0.58) APPCA2CA1CA9CYP2A6
SCHEMBL19133572 0.83 APP (0.57) APPCA2CA1CA9CYP2A6
SCHEMBL27989389 0.83 APP (0.57) APPCA2CA1CA9CYP2A6
SCHEMBL21870995 0.83 APP (0.50) APPCA2CA1CA9CYP2A6
SCHEMBL21052187 0.83 APP (0.50) APPCA2CA1CA9CYP2A6
SCHEMBL21999866 0.83 APP (0.50) APPCA2CA1CA9CYP2A6
SCHEMBL23681856 0.81 APP (0.57) APPCA2CA1CA9CYP2A6
SCHEMBL12854022 0.81 APP (0.55) APPCA2CA1CA9CYP2A6
SCHEMBL845603 0.80 APP (0.63) APPCA2CA1CA9CYP2A6
SCHEMBL29732980 0.80 APP (0.63) APPCA2CA1CA9CYP2A6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices FLEXENABLE LIMITED (GB) 2020-11-17 US disclosed
US-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices FLEXENABLE LIMITED (GB) 2020-11-17 US disclosed
EP-3052506-B1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES FLEXENABLE LTD (GB) 2020-06-03 EP disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
EP-3052506-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2016-08-10 EP disclosed
WO-2015043722-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-02 WO disclosed
WO-2015043722-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-02 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-10840460-B2 Azaborinine derivatives, their synthesis and use in organic electronic devices AZI2, NME2, ALKBH2 APP 4264/4885CA2 4607/4885CA1 4716/4885
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES AZI2, NME2, ALKBH2 APP 4264/4885CA2 4607/4885CA1 4716/4885

“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.