SCHEMBL3590189

SCHEMBL3590189

CCCCc1c(C(=O)N(C)Cc2ccc3ncccc3c2)[nH]c(C(N)=O)c1S(=O)(=O)c1cc(C)cc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.38
PDK1 Q15118 2/20 0.37
BRD4 O60885 1/20 0.37
BRD3 Q15059 1/20 0.37
USP30 Q70CQ3 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
APLNR P35414 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
TNF P01375 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
AGTR2 P50052 1/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL3574643 0.94 SPR (0.38) SPRPDK1BRD4BRD3USP30
SCHEMBL3581443 0.93 PDK1 (0.41) SPRPDK1BRD4BRD3USP30
SCHEMBL3590262 0.92 SPR (0.38) SPRPDK1BRD4BRD3USP30
SCHEMBL3586733 0.90 SPR (0.37) SPRPDK1BRD4BRD3USP30
SCHEMBL3583754 0.89 SPR (0.41) SPRPDK1BRD4BRD3USP30
SCHEMBL3586109 0.88 PDK1 (0.42) SPRPDK1BRD4BRD3USP30
SCHEMBL3579566 0.85 PDK1 (0.43) SPRPDK1BRD4BRD3USP30
SCHEMBL3590929 0.81 SPR (0.40) SPRPDK1BRD4BRD3USP30
SCHEMBL3584400 0.78 SPR (0.38) SPRPDK1BRD4BRD3USP30
SCHEMBL3587158 0.78 PDK1 (0.42) SPRPDK1USP30ALDH1A1MAPK1

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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E SPR 217/4885PDK1 1786/4885BRD4 2472/4885

“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.