SCHEMBL3301463

SCHEMBL3301463

N#Cc1ccnc(-c2ccc3scnc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.40
RIPK2 O43353 4/20 0.39
KDR P35968 4/20 0.39
TGFBR1 P36897 4/20 0.39
EGFR P00533 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MCL1 Q07820 1/20 0.38
DYRK2 Q92630 2/20 0.37
ADORA2A P29274 1/20 0.37
FFAR1 O14842 1/20 0.36
AURKA O14965 1/20 0.36
DYRK1A Q13627 1/20 0.36
KDM1A O60341 1/20 0.36
LCK P06239 3/20 0.35
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL3301358 0.80 FFAR1 (0.45) RIPK2KDRTGFBR1EGFRFFAR1
SCHEMBL1850817 0.80 KDM4E (0.42) PFKFB3RIPK2TGFBR1FFAR1DYRK1A
SCHEMBL361743 0.80 ALDH1A1 (0.45) PFKFB3TGFBR1ADORA2ADYRK1AKDM1A
SCHEMBL17116567 0.78 GRM5 (0.38) TGFBR1USP30GRM5
SCHEMBL17116522 0.75 LIMK1 (0.42) TGFBR1USP30GRM5
SCHEMBL3306715 0.74 CYP11B1 (0.50) RIPK2KDRTGFBR1EGFRFFAR1
SCHEMBL13394350 0.74 RIPK2 (0.39) RIPK2KDRTGFBR1EGFRMCL1
SCHEMBL3303277 0.74 RIPK2 (0.39) RIPK2KDRTGFBR1EGFRMCL1
SCHEMBL28048502 0.74 ALDH1A1 (0.54) RIPK2KDRTGFBR1EGFRMCL1
SCHEMBL17116616 0.73 PPARG (0.43) TGFBR1USP30GRM5

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 PFKFB3 2967/4885RIPK2 4447/4885KDR 4259/4885

“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.