SCHEMBL19633223

SCHEMBL19633223

C=CCOC(=O)Nc1ccc(CNC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ DRD2 P14416 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ USP4 Q13107 1/20 0.37
▸ USP7 Q93009 1/20 0.37
▸ HRAS P01112 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 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
SCHEMBL19636845 0.92 ERBB2 (0.40) NAMPTHDAC1HDAC6DRD2MAPK14
SCHEMBL30944532 0.91 NAMPT (0.42) NAMPTDRD2MAPK14MAPTCYP17A1
SCHEMBL30944502 0.91 NAMPT (0.42) NAMPTDRD2MAPK14MAPTCYP17A1
SCHEMBL19636934 0.91 ERBB2 (0.41) NAMPTHDAC1HDAC6DRD2MAPK14
SCHEMBL30944533 0.86 CYP17A1 (0.41) NAMPTHDAC1HDAC6DRD2MAPK14
SCHEMBL25855374 0.85 ERBB2 (0.38) NAMPTHDAC1HDAC6DRD2MAPK14
SCHEMBL19633222 0.84 USP4 (0.39) USP4USP7L3MBTL1KDM4E
SCHEMBL19633220 0.83 ERBB2 (0.40) HDAC1MAPTUSP4USP7HRAS
SCHEMBL19636936 0.82 ERBB2 (0.40) HDAC1MAPTUSP4USP7HRAS
SCHEMBL28865597 0.82 NR1H4 (0.47) NAMPTHDAC1HDAC6USP4USP7

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
EP-3458069-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2023-07-05 — — EP disclosed
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2020-05-26 — — US disclosed
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2019-03-07 — — US disclosed
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-11-23 — — US disclosed
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 (3 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 NAMPT 3033/4885HDAC1 1672/4885HDAC6 38/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B NAMPT 3033/4885HDAC1 1672/4885HDAC6 38/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B NAMPT 3033/4885HDAC1 1672/4885HDAC6 38/4885

“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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