SCHEMBL19953

SCHEMBL19953

NCc1cccc(OBOc2cccc(CN)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
ENPP2 Q13822 1/20 0.47
LOXL2 Q9Y4K0 4/20 0.46
MAOB P27338 5/20 0.46
TAAR1 Q96RJ0 1/20 0.44
ST14 Q9Y5Y6 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
PRMT6 Q96LA8 1/20 0.39

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 SCHEMBL15968097 0.98 MAOB (0.47) PNMTENPP2LOXL2MAOBTAAR1
SCHEMBL28002775 0.84 MAOB (0.39) PNMTENPP2LOXL2MAOBTAAR1
SCHEMBL4949955 0.80 ST14 (0.58) PNMTENPP2LOXL2MAOBTAAR1
SCHEMBL551531 0.79 TSHR (0.46) ENPP2TAAR1NOS1NOS2IDO1
SCHEMBL6352353 0.79 TSHR (0.41) MAOBTAAR1IDO1AGXT
SCHEMBL2525689 0.79 KDM4E (0.46) TAAR1IDO1AGXT
SCHEMBL553009 0.78 ST14 (0.54) LOXL2MAOBTAAR1ST14
SCHEMBL1852100 0.78 CYP4F2 (0.61) TAAR1
SCHEMBL24675846 0.77 PNMT (0.48) PNMTENPP2LOXL2MAOBTAAR1
SCHEMBL42954 0.77 TAAR1 (0.71) MAOBTAAR1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 EP disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 WO disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 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-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES SYK, IRAK1, ZAP70 PNMT 3099/4885ENPP2 870/4885LOXL2 2479/4885

“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.