SCHEMBL3301474

SCHEMBL3301474

CNc1ccc(-c2ccc3scnc3c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 13/20 0.43
KDR P35968 2/20 0.42
TGFBR1 P36897 2/20 0.42
EGFR P00533 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
TRPM5 Q9NZQ8 1/20 0.41
RIPK3 Q9Y572 4/20 0.41
LCK P06239 1/20 0.41
PIK3CD O00329 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AURKA O14965 1/20 0.39
HSD11B1 P28845 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
SCHEMBL1849707 0.83 RIPK2 (0.52) RIPK2KDRTGFBR1EGFRTRPM5
SCHEMBL1849302 0.81 NAMPT (0.46) RIPK2KDRTGFBR1EGFRPIK3CD
SCHEMBL1851318 0.81 TRPV3 (0.44) RIPK2KDRTGFBR1EGFRTRPV3
SCHEMBL13006762 0.80 ALDH1A1 (0.50) RIPK2KDRTGFBR1EGFRTRPM5
SCHEMBL30534181 0.80 ALDH1A1 (0.50) RIPK2KDRTGFBR1EGFRTRPM5
SCHEMBL13539289 0.78 NPC1 (0.48) RIPK2KDRTGFBR1TRPV3TRPM5
SCHEMBL13394460 0.78 DYRK1A (0.42) RIPK2KDRTGFBR1EGFRTRPV3
SCHEMBL3311143 0.77 DYRK2 (0.45) RIPK2KDRTGFBR1LCKAURKA
Hydrochloric Acid SCHEMBL3304866 0.77 DYRK1A (0.41) RIPK2KDRTGFBR1EGFRTRPV3
SCHEMBL3306678 0.77 RIPK2 (0.49) RIPK2KDRTGFBR1EGFRRIPK3

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 RIPK2 4447/4885KDR 4259/4885TGFBR1 3903/4885

“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.