SCHEMBL9948037

SCHEMBL9948037

COCc1cc(Br)cc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
EGLN2 Q96KS0 1/20 0.39
IDO1 P14902 1/20 0.38
TTR P02766 2/20 0.35
ALB P02768 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.33
MAOB P27338 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MAOA P21397 1/20 0.32
CYP2A6 P11509 1/20 0.31
APP P05067 3/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL20698865 0.86 GRM5 (0.46) GRM5EGLN2TTRALBMAOB
SCHEMBL4694668 0.86 GRM5 (0.46) GRM5EGLN2TTRALBMAOB
SCHEMBL28951019 0.80 IDO1 (0.34) IDO1TTRALBMEN1KMT2A
SCHEMBL3587231 0.80 IDO1 (0.50) IDO1MEN1KMT2AMAOBALDH1A1
SCHEMBL4801258 0.80 IDO1 (0.56) IDO1MEN1KMT2AMAOBALDH1A1
SCHEMBL9948485 0.79 CYP2A6 (0.48) TTRALBMEN1KMT2AMAOB
SCHEMBL25077205 0.78 GRM5 (0.50) GRM5EGLN2IDO1
SCHEMBL20698866 0.78 GRM5 (0.41) GRM5EGLN2IDO1MEN1KMT2A
SCHEMBL4693657 0.78 GRM5 (0.41) GRM5EGLN2MAOBALDH1A1MAOA
SCHEMBL4651507 0.78 GRM5 (0.41) GRM5EGLN2TTRALBALDH1A1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
WO-2013054108-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-18 WO disclosed
WO-2013054108-A1 MONO-FLUORO BETA-SECRETASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-18 WO disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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 (3 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-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP GRM5 2512/4885EGLN2 4454/4885IDO1 1511/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP GRM5 2512/4885EGLN2 4454/4885IDO1 1511/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP GRM5 2512/4885EGLN2 4454/4885IDO1 1511/4885

“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.