SCHEMBL19633055

SCHEMBL19633055

C=CCOC(=O)Nc1ccc2c(c1)CN(C(=O)c1cc(N)cn1C)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.38
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ PLAU P00749 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ AGPAT2 O15120 1/20 0.35
▸ HSP90AA1 P07900 3/20 0.34
▸ TMPRSS2 O15393 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ ERBB2 P04626 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
SCHEMBL19632861 0.89 AGPAT2 (0.39) NAMPTHDAC8HDAC6MEN1KMT2A
SCHEMBL20796305 0.88 KMT2A (0.42) NAMPTMEN1KMT2A
SCHEMBL19636657 0.85 DRD2 (0.38) NAMPTHDAC1
Hydrochloric Acid SCHEMBL30944564 0.82 MEN1 (0.41) MEN1KMT2AAGPAT2KDM4E
SCHEMBL19633019 0.78 GRM4 (0.37) NAMPTMEN1KMT2AAGPAT2KDM4E
Hydrochloric Acid SCHEMBL30464353 0.77 GRM4 (0.37) NAMPTMEN1KMT2AAGPAT2KDM4E
SCHEMBL19633222 0.77 USP4 (0.39) MEN1KMT2AKDM4E
SCHEMBL19614875 0.77 FGFR1 (0.39) MEN1KMT2AAGPAT2ERBB2
Hydrochloric Acid SCHEMBL19614868 0.75 ERBB2 (0.38) AGPAT2KDM4EERBB2
Hydrochloric Acid SCHEMBL30464368 0.75 ERBB2 (0.38) AGPAT2KDM4EERBB2

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
EP-3458069-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2023-07-05 — — EP 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 (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-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B NAMPT 3033/4885HDAC8 1370/4885HDAC6 38/4885

“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