SCHEMBL19739221

SCHEMBL19739221

Cn1cc(-c2ccc(NC(=O)c3nc(NC(=O)OC(C)(C)C)cn3C)cc2)cc1C(=O)n1ccc2cc(NC(=O)O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 9/20 0.37
▸ GRM4 Q14833 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CYP17A1 P05093 3/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL19614936 0.92 ERBB2 (0.42) ERBB2GRM4GSK3BDYRK1ANAMPT
SCHEMBL19739261 0.90 ERBB2 (0.45) ERBB2GRM4GSK3BDYRK1ALMNA
SCHEMBL19739283 0.89 ERBB2 (0.45) ERBB2CYP17A1NPC1LMNAMAPT
SCHEMBL30045662 0.89 ERBB2 (0.37) ERBB2GRM4GSK3BDYRK1ACYP17A1
SCHEMBL19739072 0.83 CYP17A1 (0.41) ERBB2GSK3BDYRK1ACYP17A1P2RY14
SCHEMBL19632862 0.83 ERBB2 (0.44) ERBB2GRM4LMNAMAPT
SCHEMBL26073602 0.82 CYP17A1 (0.43) GSK3BDYRK1ACYP17A1P2RY14NAMPT
SCHEMBL19632860 0.81 ERBB2 (0.42) ERBB2GRM4NAMPT
SCHEMBL17230049 0.81 CYP17A1 (0.40) GSK3BDYRK1ACYP17A1P2RY14NAMPT
SCHEMBL28458723 0.81 CYP17A1 (0.42) GSK3BDYRK1ACYP17A1NAMPTSCN3A

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 65/4885GRM4 830/4885GSK3B 3014/4885

“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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