SCHEMBL16615575

SCHEMBL16615575

Brc1cc(Nc2ccccc2)c(Br)cc1Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 8/20 0.50
MAPT P10636 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
KDM4E B2RXH2 5/20 0.50
ALOX15 P16050 3/20 0.50
TSHR P16473 3/20 0.50
GLA P06280 2/20 0.50
MAPK1 P28482 2/20 0.50
ALOX12 P18054 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
PTGS2 P35354 1/20 0.50
HTR2B P41595 1/20 0.50
AR P10275 1/20 0.50

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
SCHEMBL9629035 0.95 HSD17B10 (0.48) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL22045336 0.88 GAA (0.50) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL27906204 0.85 GAA (0.47) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL14428159 0.82 ALK (0.51) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL28598854 0.82 ALDH1A1 (0.54) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL18687129 0.82 ALK (0.51) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL3270611 0.80 MAPT (0.56) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL31425489 0.80 MAPT (0.56) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL21191072 0.79 ALDH1A1 (0.65) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL21835039 0.79 L3MBTL1 (0.54) HSD17B10ALDH1A1MAPTMEN1KMT2A

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-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
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 HSD17B10 3017/4885ALDH1A1 450/4885MAPT 1747/4885
US-20160248014-A1 AZABORININE DERIVATIVES, THEIR SYNTHESIS AND USE IN ORGANIC ELECTRONIC DEVICES AZI2, NME2, ALKBH2 HSD17B10 3017/4885ALDH1A1 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.