SCHEMBL13394464

SCHEMBL13394464

Nc1ccc(-c2ccc3scnc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
FFAR1 O14842 1/20 0.48
RIPK2 O43353 6/20 0.46
KDR P35968 4/20 0.46
TGFBR1 P36897 4/20 0.46
RIPK3 Q9Y572 2/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 3/20 0.44
FASN P49327 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42

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
Hydrochloric Acid SCHEMBL3307019 0.98 DYRK1A (0.50) DYRK1AFFAR1RIPK2KDRTGFBR1
SCHEMBL28048502 0.88 ALDH1A1 (0.54) DYRK1AFFAR1RIPK2KDRTGFBR1
SCHEMBL22130152 0.85 DYRK1A (0.70) DYRK1AFFAR1RIPK2TGFBR1RIPK3
SCHEMBL13394458 0.84 MAP4K4 (0.49) DYRK1AFFAR1RIPK2KDRTGFBR1
SCHEMBL29363971 0.84 ALDH1A1 (0.50) DYRK1AFFAR1RIPK2KDRTGFBR1
SCHEMBL115598 0.84 ALDH1A1 (0.50) DYRK1AFFAR1RIPK2KDRTGFBR1
SCHEMBL927048 0.83 RIPK2 (0.60) DYRK1AFFAR1RIPK2KDRTGFBR1
SCHEMBL29478085 0.83 RIPK2 (0.60) DYRK1AFFAR1RIPK2KDRTGFBR1
Hydrochloric Acid SCHEMBL3303898 0.83 MAP4K4 (0.47) DYRK1AFFAR1RIPK2KDRTGFBR1
Methane SCHEMBL11806579 0.82 ALDH1A1 (0.48) DYRK1AFFAR1RIPK2KDRTGFBR1

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 5 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-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 3096/4885FFAR1 2289/4885RIPK2 4447/4885

“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.