SCHEMBL19637500

SCHEMBL19637500

C=CCOC(=O)Nc1ccc2cnn(C(=O)c3cc(NC(=O)c4cc(NC(=O)c5nc(NC(=O)OC(C)(C)C)cn5C)cn4C)cn3C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 15/20 0.43
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR4 P22455 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
SCHEMBL19633096 0.91 FGFR1 (0.37) ERBB2HDAC8GSK3BDYRK1AFGFR1
SCHEMBL19637502 0.87 ERBB2 (0.42) ERBB2HDAC1HDAC2HDAC8FGFR1
SCHEMBL19633089 0.85 ERBB2 (0.43) ERBB2HDAC1HDAC2HDAC8
SCHEMBL19632860 0.83 ERBB2 (0.42) ERBB2HDAC1HDAC2HDAC8
SCHEMBL19636934 0.83 ERBB2 (0.41) ERBB2HDAC1HDAC2HDAC8
SCHEMBL19636845 0.82 ERBB2 (0.40) ERBB2HDAC1HDAC2HDAC8
SCHEMBL30046311 0.79 SMN1; SMN2 (0.37) ERBB2HDAC1HDAC2HDAC8
SCHEMBL30944502 0.79 NAMPT (0.42) —
SCHEMBL30944532 0.79 NAMPT (0.42) —
SCHEMBL19614875 0.78 FGFR1 (0.39) ERBB2FGFR1FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ERBB2 65/4885HDAC1 1672/4885HDAC2 1196/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B ERBB2 65/4885HDAC1 1672/4885HDAC2 1196/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B ERBB2 65/4885HDAC1 1672/4885HDAC2 1196/4885

“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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