SCHEMBL19614900

SCHEMBL19614900

COc1ccc2c(ccn2C(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.47
▸ ERBB2 P04626 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MTNR1A P48039 3/20 0.39
▸ MTNR1B P49286 3/20 0.39
▸ TFPI2 P48307 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ FABP4 P15090 1/20 0.35

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
SCHEMBL19633095 0.88 THRB (0.37) TFPI2BRD4GRM4
SCHEMBL19637045 0.87 ERBB2 (0.53) TUBB1ERBB2L3MBTL1HDAC1HDAC2
SCHEMBL19636843 0.81 GRM4 (0.35) ERBB2KDM4EGRM4
SCHEMBL19739261 0.80 ERBB2 (0.45) TUBB1ERBB2GRM4
SCHEMBL30464336 0.78 ERBB2 (0.49) TUBB1ERBB2L3MBTL1MTNR1AMTNR1B
SCHEMBL19614848 0.78 ERBB2 (0.49) TUBB1ERBB2L3MBTL1MTNR1AMTNR1B
SCHEMBL19637042 0.77 TUBB1 (0.55) TUBB1L3MBTL1MTNR1AMTNR1BTFPI2
SCHEMBL19614936 0.76 ERBB2 (0.42) ERBB2SMN1; SMN2HDAC1HDAC2HDAC8
SCHEMBL19632862 0.76 ERBB2 (0.44) ERBB2HDAC1HDAC2HDAC8GRM4
SCHEMBL2392134 0.75 HDAC3 (0.39) KDM4EALDH1A1HDAC1HDAC6HDAC3

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 8 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-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-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2019-03-07 — — US disclosed
US-10143695-B2 Pyrrolobenzodiazepines and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2018-12-04 — — 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 (4 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 TUBB1 152/4885ERBB2 65/4885L3MBTL1 1321/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B TUBB1 152/4885ERBB2 65/4885L3MBTL1 1321/4885
US-10143695-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B TUBB1 152/4885ERBB2 65/4885L3MBTL1 1321/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B TUBB1 152/4885ERBB2 65/4885L3MBTL1 1321/4885

“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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