SCHEMBL3311489

SCHEMBL3311489

Fc1cc(F)cc(-c2ccc3scnc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RIPK2 O43353 8/20 0.42
KDR P35968 4/20 0.42
TGFBR1 P36897 4/20 0.42
EGFR P00533 1/20 0.42
MAP4K4 O95819 1/20 0.41
FFAR1 O14842 1/20 0.41
FASN P49327 1/20 0.40
PIK3CD O00329 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
APP P05067 1/20 0.38
LCK P06239 3/20 0.38
VRK1 Q99986 1/20 0.37
AURKA O14965 1/20 0.36

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
SCHEMBL1850000 0.89 HSD17B1 (0.43) DYRK1AALOX5APFEN1ALDH1A1HSD17B10
SCHEMBL28048502 0.87 ALDH1A1 (0.54) DYRK1AALOX5APFEN1ALDH1A1HSD17B10
SCHEMBL3307688 0.86 RXRA (0.42) DYRK1AALOX5APFEN1ALDH1A1HSD17B10
SCHEMBL3306723 0.83 CYP11B1 (0.44) DYRK1AALOX5APFEN1ALDH1A1HSD17B10
SCHEMBL1854129 0.79 CYP2A6 (0.45) DYRK1AALOX5APFEN1ALDH1A1HSD17B10
SCHEMBL29388659 0.79 ALDH1A1 (0.50) DYRK1AALOX5APFEN1ALDH1A1HSD17B10
SCHEMBL4054554 0.79 ALDH1A1 (0.50) DYRK1AALOX5APFEN1ALDH1A1HSD17B10
SCHEMBL27534916 0.79 FFAR1 (0.47) DYRK1AALDH1A1HSD17B10RIPK2KDR
SCHEMBL1852032 0.78 VRK1 (0.46) DYRK1AALOX5APFEN1HSD17B10RIPK2
SCHEMBL927048 0.78 RIPK2 (0.60) DYRK1AALOX5APFEN1ALDH1A1HSD17B10

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 7 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-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 (1 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 DYRK1A 3096/4885ALOX5AP 275/4885FEN1 1545/4885

“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.