SCHEMBL19632860

SCHEMBL19632860

C=CCOC(=O)Nc1ccc2c(ccn2C(=O)c2cc(NC(=O)c3nc(NC(=O)OC(C)(C)C)cn3C)cn2C)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 14/20 0.42
▸ GRM4 Q14833 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ AGPAT2 O15120 1/20 0.32
▸ NAMPT P43490 1/20 0.31

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
SCHEMBL19633089 0.99 ERBB2 (0.43) ERBB2GRM4HDAC1HDAC2HDAC8
SCHEMBL30045662 0.93 ERBB2 (0.37) ERBB2GRM4
SCHEMBL19636843 0.92 GRM4 (0.35) ERBB2GRM4AGPAT2NAMPT
SCHEMBL19614901 0.91 ERBB2 (0.42) ERBB2GRM4HDAC1HDAC2HDAC8
SCHEMBL19614936 0.89 ERBB2 (0.42) ERBB2GRM4HDAC1HDAC2HDAC8
SCHEMBL19633039 0.86 ERBB2 (0.40) ERBB2GRM4AGPAT2NAMPT
Hydrochloric Acid SCHEMBL30464360 0.86 ERBB2 (0.40) ERBB2GRM4AGPAT2NAMPT
SCHEMBL19633090 0.85 ERBB2 (0.41) ERBB2GRM4AGPAT2NAMPT
SCHEMBL19614843 0.84 GRM4 (0.36) ERBB2GRM4AGPAT2NAMPT
Hydrochloric Acid SCHEMBL30464359 0.84 ERBB2 (0.41) ERBB2GRM4AGPAT2NAMPT

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 6 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
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 ERBB2 65/4885GRM4 830/4885HDAC1 1672/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B ERBB2 65/4885GRM4 830/4885HDAC1 1672/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B ERBB2 65/4885GRM4 830/4885HDAC1 1672/4885

“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.

Send feedback