SCHEMBL3305147

SCHEMBL3305147

O=[N+]([O-])c1ccc(-c2ccc3scnc3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
DYRK1A Q13627 1/20 0.39
FFAR1 O14842 1/20 0.39
FASN P49327 1/20 0.38
RIPK2 O43353 6/20 0.37
KDR P35968 3/20 0.37
TGFBR1 P36897 3/20 0.37
RIPK3 Q9Y572 2/20 0.37
EGFR P00533 1/20 0.37
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
LCK P06239 2/20 0.36
MCL1 Q07820 3/20 0.35
MAPT P10636 1/20 0.35
VRK1 Q99986 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL13165180 0.81 MAPT (0.45) PIK3CDDYRK1AFFAR1FASNRIPK2
SCHEMBL483464 0.80 RAB9A (0.35) DYRK1AFFAR1RIPK2KDRRIPK3
SCHEMBL28048502 0.78 ALDH1A1 (0.54) PIK3CDDYRK1AFFAR1FASNRIPK2
SCHEMBL13394562 0.76 MAPT (0.61) PIK3CDDYRK1AFFAR1FASNRIPK2
SCHEMBL1854129 0.74 CYP2A6 (0.45) PIK3CDDYRK1AFFAR1FASNRIPK2
SCHEMBL3308095 0.74 PIK3CA (0.53) PIK3CDDYRK1AFFAR1FASNRIPK2
SCHEMBL1011755 0.73 TXNRD1 (0.51) MAPTALDH1A1HSD17B10TDP1
SCHEMBL29517954 0.73 TXNRD1 (0.51) MAPTALDH1A1HSD17B10TDP1
SCHEMBL3306700 0.73 AR (0.43) FFAR1FASNRIPK2KDRTGFBR1
SCHEMBL31106335 0.72 TXNRD1 (0.50) MAPTALDH1A1HSD17B10TDP1

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
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB PIK3CD 4367/4885DYRK1A 3096/4885FFAR1 2289/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 PIK3CD 3730/4885DYRK1A 4279/4885FFAR1 4282/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 PIK3CD 4000/4885DYRK1A 4127/4885FFAR1 3627/4885

“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.