SCHEMBL3842580

SCHEMBL3842580

COc1ccc(CNCc2c[c]ccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRM2 P08172 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
BCHE P06276 2/20 0.47
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7145414 0.81 CHRM2 (0.46) HTTSMN1; SMN2CHRM2MEN1KMT2A
SCHEMBL7215264 0.81 LTA4H (0.63) ALDH1A1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL28857985 0.81 CHRM2 (0.58) ALDH1A1HTTKDM4ESMN1; SMN2CHRM2
SCHEMBL1279045 0.81 HTT (0.73) ALDH1A1HTTKDM4ESMN1; SMN2CHRM2
SCHEMBL1044325 0.81 MEN1 (0.52) KDM4ECHRM2MEN1KMT2ABCHE
SCHEMBL121529 0.80 CHRM2 (0.70) ALDH1A1HTTKDM4ESMN1; SMN2CHRM2
SCHEMBL6635774 0.80 SCN8A (0.53) ALDH1A1HTTKDM4ESMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL2147064 0.78 CHRM2 (0.68) ALDH1A1HTTKDM4ESMN1; SMN2CHRM2
Hydrochloric Acid SCHEMBL9479560 0.78 CHRM2 (0.68) ALDH1A1HTTKDM4ESMN1; SMN2CHRM2
SCHEMBL2477823 0.75 GAA (0.37) ALDH1A1KDM4ESMN1; SMN2CHRM2MEN1

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-10065965-B2 Imidazo[1,2-B][1,2,4]triazine derivatives as antiparasitic agents GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-09-04 US disclosed
US-20180141949-A1 IMIDAZO[1,2-B][1,2,4]TRIAZINE DERIVATIVES AS ANTIPARASITIC AGENTS THE UNIVERSITY OF DUNDEE (GB) 2018-05-24 US disclosed
EP-3303336-A1 IMIDAZO[1,2-B][1,2,4]TRIAZINE DERIVATIVES AS ANTIPARASITIC AGENTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-11 EP disclosed
WO-2016193111-A1 IMIDAZO[1,2-B][1,2,4]TRIAZINE DERIVATIVES AS ANTIPARASITIC AGENTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-08 WO disclosed
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 EP disclosed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 US disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 US disclosed
EP-1641465-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID Theravance, Inc. (US) 2006-04-05 EP disclosed
WO-2005025555-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE, INC. (US) 2005-03-24 WO disclosed
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2003-12-11 US 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 (4 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-10065965-B2 Imidazo[1,2-B][1,2,4]triazine derivatives as antiparasitic agents HDAC1, HDAC11, HDAC5 ALDH1A1 186/4885HTT 843/4885KDM4E 2317/4885
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 ALDH1A1 614/4885HTT 3363/4885KDM4E 4025/4885
US-20180141949-A1 IMIDAZO[1,2-B][1,2,4]TRIAZINE DERIVATIVES AS ANTIPARASITIC AGENTS HDAC1, HDAC11, HDAC5 ALDH1A1 186/4885HTT 843/4885KDM4E 2317/4885
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ALDH1A1 397/4885HTT 3493/4885KDM4E 4101/4885

“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.