SCHEMBL19739261

SCHEMBL19739261

COc1ccc2c(ccn2C(=O)c2cc(-c3ccc(NC(=O)c4nc(NC(=O)OC(C)(C)C)cn4C)cc3)cn2C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 9/20 0.45
▸ PLAU P00749 3/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ HCRTR2 O43614 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL19739283 0.90 ERBB2 (0.45) ERBB2PLAULMNAPLGPLAT
SCHEMBL19739221 0.90 ERBB2 (0.37) ERBB2LMNAGRM4GSK3BDYRK1A
SCHEMBL19637045 0.90 ERBB2 (0.53) ERBB2TUBB1GRM4
SCHEMBL30045662 0.86 ERBB2 (0.37) ERBB2GRM4GSK3BDYRK1A
SCHEMBL17230049 0.84 CYP17A1 (0.40) PLAUGSK3BDYRK1A
SCHEMBL19614936 0.82 ERBB2 (0.42) ERBB2LMNAGRM4GSK3BDYRK1A
SCHEMBL19739072 0.81 CYP17A1 (0.41) ERBB2GSK3BDYRK1A
SCHEMBL26073602 0.81 CYP17A1 (0.43) GSK3BDYRK1A
SCHEMBL19632862 0.80 ERBB2 (0.44) ERBB2LMNAGRM4
SCHEMBL28458723 0.80 CYP17A1 (0.42) GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475284-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2022-11-02 — — EP disclosed
EP-3475284-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF Mersana Therapeutics, Inc. (US) 2019-05-01 — — EP disclosed
WO-2017223275-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. (US) 2017-12-28 — — WO disclosed
US-20170369453-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-12-28 — — 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-20170369453-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B ERBB2 65/4885PLAU 3684/4885TUBB1 152/4885

“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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