SCHEMBL1854129

SCHEMBL1854129

Fc1ccc(-c2ccc3scnc3c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.45
CYP2B6 P20813 3/20 0.45
CYP2E1 P05181 1/20 0.45
PIK3CD O00329 1/20 0.43
RIPK2 O43353 4/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 1/20 0.43
TGFBR1 P36897 1/20 0.43
APP P05067 1/20 0.43
CYP11B2 P19099 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
VRK1 Q99986 1/20 0.41
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
FASN P49327 1/20 0.39

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
SCHEMBL28048502 0.84 ALDH1A1 (0.54) PIK3CDRIPK2EGFRKDRTGFBR1
SCHEMBL3308095 0.80 PIK3CA (0.53) PIK3CDRIPK2EGFRKDRTGFBR1
SCHEMBL3311489 0.79 DYRK1A (0.46) PIK3CDRIPK2EGFRKDRTGFBR1
SCHEMBL3306723 0.78 CYP11B1 (0.44) PIK3CDRIPK2EGFRKDRTGFBR1
SCHEMBL12402796 0.76 GRM5 (0.48) RIPK2APPDYRK1AALDH1A1HSD17B10
SCHEMBL3299110 0.76 PIK3CD (0.41) PIK3CDRIPK2EGFRKDRTGFBR1
SCHEMBL12403502 0.76 GRM5 (0.48) RIPK2APPDYRK1AALDH1A1HSD17B10
SCHEMBL3309985 0.76 APP (0.48) PIK3CDRIPK2EGFRKDRTGFBR1
SCHEMBL13394572 0.76 PFKFB3 (0.46) PIK3CDRIPK2EGFRKDRTGFBR1
SCHEMBL4054554 0.76 ALDH1A1 (0.50) RIPK2APPDYRK1AALDH1A1HSD17B10

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
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
EP-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP 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
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 CYP2A6 3335/4885CYP2B6 4206/4885CYP2E1 4267/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 CYP2A6 4707/4885CYP2B6 4702/4885CYP2E1 4681/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 CYP2A6 4632/4885CYP2B6 4594/4885CYP2E1 4499/4885

“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.