SCHEMBL2055243

SCHEMBL2055243

c1ccc2sc(-c3ccc(N4CCOCC4)nc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.61
CDK5R1 Q15078 1/20 0.61
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CNR2 P34972 6/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
MGLL Q99685 1/20 0.50
ATR Q13535 1/20 0.49
PKM P14618 1/20 0.47
APP P05067 1/20 0.46
DGAT1 O75907 1/20 0.46

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
SCHEMBL2055241 0.84 NPC1 (0.60) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL2055242 0.83 AR (0.59) CDK5CDK5R1CNR2MAPTAPP
SCHEMBL2957182 0.83 CNR2 (0.49) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL21462334 0.83 NPC1 (0.52) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL8397683 0.83 APP (0.64) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL23327790 0.81 NPC1 (0.50) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL2055226 0.81 APP (0.74) APP
SCHEMBL21462440 0.80 PDE10A (0.49) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL19341609 0.80 RAB9A (0.51) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL21462350 0.78 NPC1 (0.47) CDK5CDK5R1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 US disclosed
EP-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 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-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 CDK5 1950/4885CDK5R1 3420/4885NPC1 94/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 CDK5 2065/4885CDK5R1 3027/4885NPC1 156/4885

“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.