SCHEMBL19633095

SCHEMBL19633095

Cc1ccc2c(ccn2C(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TFPI2 P48307 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AR P10275 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
SCHEMBL19614900 0.88 TUBB1 (0.47) BRD4TFPI2GRM4
SCHEMBL19632862 0.87 ERBB2 (0.44) THRBMAPTGRM4LMNA
SCHEMBL19636843 0.82 GRM4 (0.35) NAMPTMAPTGRM4
SCHEMBL19614936 0.80 ERBB2 (0.42) NAMPTMAPTGRM4LMNA
SCHEMBL19637045 0.76 ERBB2 (0.53) GRM4
SCHEMBL19633093 0.75 THRB (0.43) THRBNAMPTMAPTGRM4LMNA
SCHEMBL27118675 0.75 THRB (0.45) THRBNAMPTMAPTMAPK14CA12
SCHEMBL19632860 0.75 ERBB2 (0.42) NAMPTGRM4
SCHEMBL19753900 0.75 THRB (0.37) THRBNAMPTCHRNA7MAPTTFPI2
SCHEMBL19633094 0.75 TFPI2 (0.41) THRBNAMPTCHRNA7MAPTTFPI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-11-23 — — 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-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B THRB 1218/4885NAMPT 3033/4885DGAT1 4224/4885

“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.

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