SCHEMBL3301358

SCHEMBL3301358

N#Cc1ccc(-c2ccc3scnc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
MAP4K4 O95819 1/20 0.44
DYRK1A Q13627 1/20 0.44
RIPK2 O43353 4/20 0.43
TGFBR1 P36897 3/20 0.43
KDR P35968 2/20 0.43
EGFR P00533 1/20 0.43
FASN P49327 1/20 0.41
LIMK1 P53667 1/20 0.41
KDM1A O60341 1/20 0.41
RIPK3 Q9Y572 1/20 0.40
MMP3 P08254 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSC P53634 1/20 0.39
LCK P06239 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 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
SCHEMBL361743 0.86 ALDH1A1 (0.45) MAP4K4DYRK1ATGFBR1LIMK1KDM1A
SCHEMBL28048502 0.84 ALDH1A1 (0.54) FFAR1DYRK1ARIPK2TGFBR1KDR
SCHEMBL3306715 0.83 CYP11B1 (0.50) FFAR1MAP4K4DYRK1ARIPK2TGFBR1
SCHEMBL1850817 0.83 KDM4E (0.42) FFAR1DYRK1ARIPK2TGFBR1KDM1A
SCHEMBL3301463 0.80 PFKFB3 (0.40) FFAR1DYRK1ARIPK2TGFBR1KDR
SCHEMBL19435488 0.80 SLC22A12 (0.46) MAP4K4DYRK1ATGFBR1KDM1AMMP3
SCHEMBL31070287 0.80 CYP19A1 (0.42) MAP4K4ALDH1A1HSD17B10
SCHEMBL3299110 0.80 PIK3CD (0.41) FFAR1DYRK1ARIPK2TGFBR1KDR
SCHEMBL21625029 0.79 RIPK2 (0.45) FFAR1DYRK1ARIPK2TGFBR1KDR
SCHEMBL29478085 0.79 RIPK2 (0.60) FFAR1DYRK1ARIPK2TGFBR1KDR

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 6 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

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 FFAR1 2289/4885MAP4K4 4649/4885DYRK1A 3096/4885

“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.