SCHEMBL16600588

SCHEMBL16600588

Nc1cc(-c2ccco2)c(N)cc1-c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
BLM P54132 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.46
ADORA2B P29275 2/20 0.46
PDPK1 O15530 1/20 0.46
CFTR P13569 4/20 0.45
POLB P06746 4/20 0.45
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALOX15 P16050 3/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
HPGD P15428 3/20 0.45
USP2 O75604 2/20 0.45
GAA P10253 2/20 0.45

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
SCHEMBL7805943 0.88 GAA (0.44) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL7808886 0.88 MAPK1 (0.41) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL7807450 0.83 TAAR1 (0.53) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL6873928 0.83 TAAR1 (0.53) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL19199419 0.81 ADORA2A (0.49) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL22897894 0.81 ADORA2A (0.49) TAAR1ALDH1A1MAPTBLMKDM4E
Hydrochloric Acid SCHEMBL7807700 0.81 TAAR1 (0.52) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL8586029 0.80 ADORA2A (0.48) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL397270 0.79 ALDH1A1 (0.52) TAAR1ALDH1A1MAPTBLMKDM4E
SCHEMBL29634306 0.79 ALDH1A1 (0.52) TAAR1ALDH1A1MAPTBLMKDM4E

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 10 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
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 TAAR1 1053/4885ALDH1A1 450/4885MAPT 1747/4885
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES AZI2, NME2, ALKBH2 TAAR1 1053/4885ALDH1A1 450/4885MAPT 1747/4885

“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.