SCHEMBL12848460

SCHEMBL12848460

Cc1cn(-c2ccc3c(c2)-c2sc(C(=O)Nc4c(F)cccc4F)nc2CCC3)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.37
PSEN1 P49768 7/20 0.35
PSEN2 P49810 7/20 0.35
APH1B Q8WW43 7/20 0.35
NCSTN Q92542 7/20 0.35
APH1A Q96BI3 7/20 0.35
PSENEN Q9NZ42 7/20 0.35
USP30 Q70CQ3 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
NR2E1 Q9Y466 3/20 0.34
MAPK13 O15264 1/20 0.34
FGFR3 P22607 1/20 0.33
LDLR P01130 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12848568 0.90 MAPT (0.34) MAPTSTIM1ORAI1ALDH1A1
SCHEMBL12848749 0.90 MAPT (0.34) GPR142MAPTSTIM1ORAI1KDM4E
SCHEMBL12848566 0.90 MAP3K5 (0.35) MAPTSTIM1ORAI1KDM4EALDH1A1
SCHEMBL12848854 0.89 MAPT (0.34) MAPTSTIM1ORAI1
SCHEMBL12848966 0.89 MAPT (0.33) MAPTSTIM1ORAI1ALDH1A1
SCHEMBL12848567 0.89 MAP3K5 (0.39)
SCHEMBL12848915 0.88 MAPT (0.36) MAPTSTIM1ORAI1KDM4EALDH1A1
SCHEMBL12848856 0.88 MAPT (0.33) USP30MAPTSTIM1ORAI1KDM4E
SCHEMBL12848751 0.87 HTR2A (0.35) MAPTSTIM1ORAI1ALDH1A1
SCHEMBL12848964 0.87 MAPT (0.33) MAPTSTIM1ORAI1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 GPR142 1957/4885PSEN1 3587/4885PSEN2 3530/4885

“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.