SCHEMBL3306715

SCHEMBL3306715

N#Cc1cncc(-c2ccc3scnc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
MAP4K4 O95819 1/20 0.50
PIK3CG P48736 1/20 0.46
PIK3CD O00329 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
DYRK1A Q13627 2/20 0.39
FFAR1 O14842 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
GRIA2 P42262 1/20 0.37
RIPK2 O43353 2/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
TGFBR1 P36897 1/20 0.37
GSK3B P49841 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
SCHEMBL3301358 0.83 FFAR1 (0.45) MAP4K4PIK3CDDYRK1AFFAR1RIPK2
SCHEMBL3306723 0.78 CYP11B1 (0.44) CYP11B1CYP11B2PIK3CGPIK3CDDYRK1A
SCHEMBL28048502 0.78 ALDH1A1 (0.54) PIK3CDDYRK1AFFAR1RIPK2EGFR
SCHEMBL1850817 0.77 KDM4E (0.42) CYP11B1PIK3CDDYRK1AFFAR1RIPK2
SCHEMBL3305158 0.77 RIPK2 (0.48) PIK3CDDYRK1AFFAR1RIPK2EGFR
SCHEMBL3299110 0.77 PIK3CD (0.41) PIK3CDDYRK1AFFAR1IRAK4RIPK2
SCHEMBL361743 0.76 ALDH1A1 (0.45) MAP4K4DYRK1ATGFBR1
SCHEMBL17116596 0.76 CYP11B1 (0.55) CYP11B1CYP11B2MAP4K4PIK3CGPRMT5
SCHEMBL17116524 0.75 CYP11B2 (0.54) CYP11B1CYP11B2MAP4K4PIK3CGPRMT5
SCHEMBL3305165 0.74 CYP11B2 (0.47) CYP11B1CYP11B2PIK3CDPRMT5WDR77

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 CYP11B1 1845/4885CYP11B2 1887/4885MAP4K4 4649/4885

“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.