SCHEMBL2149142

SCHEMBL2149142

O=C(OCCl)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
L3MBTL1 Q9Y468 7/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
AGTR1 P30556 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
APP P05067 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL27221774 0.85 L3MBTL1 (0.58) NPSR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL30099767 0.83 L3MBTL1 (0.60) NPSR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL1503221 0.83 L3MBTL1 (0.56) NPSR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL10567727 0.83 APP (0.60) NPSR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL29554609 0.81 L3MBTL1 (0.55) NPSR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL1818702 0.81 L3MBTL1 (0.55) NPSR1L3MBTL1ALDH1A1KDM4EGAA
Ethyl Picolinate SCHEMBL30016787 0.81 CYP1A2 (0.65) NPSR1L3MBTL1ALDH1A1KDM4EGAA
Ethyl Picolinate SCHEMBL8661716 0.81 CYP1A2 (0.65) NPSR1L3MBTL1ALDH1A1KDM4EGAA
Ethyl Picolinate SCHEMBL126181 0.81 CYP1A2 (0.65) NPSR1L3MBTL1ALDH1A1KDM4EGAA
SCHEMBL17205087 0.81 L3MBTL1 (0.55) NPSR1L3MBTL1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515914-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BeiGene, Ltd. (KY) 2019-07-31 EP disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
EP-3280715-A1 NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES Beigene, Ltd. (KY) 2018-02-14 EP disclosed
US-9556135-B2 Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use AMGEN, INC. (US) 2017-01-31 US disclosed
WO-2016161960-A1 NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2016-10-13 WO disclosed
US-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2015-09-17 US disclosed
WO-2014059185-A1 AMINO - DIHYDROTHIAZINE AND AMINO - DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE AMGEN INC. (US) 2014-04-17 WO disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
EP-2342188-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 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-20150259308-A1 AMINO-DIHYDROTHIAZINE AND AMINO-DIOXIDO DIHYDROTHIAZINE COMPOUNDS AS BETA-SECRETASE ANTAGONISTS AND METHODS OF USE BACE1, BACE2, APP NPSR1 654/4885L3MBTL1 3009/4885ALDH1A1 991/4885

“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.