SCHEMBL19636657

SCHEMBL19636657

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.38
▸ NAMPT P43490 5/20 0.38
▸ NR1I3 Q14994 5/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ MMP8 P22894 6/20 0.37
▸ MMP3 P08254 3/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34

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 0.86 AGPAT2 (0.39) NAMPT
SCHEMBL19614928 0.86 NAMPT (0.42) DRD2NAMPTNR1I3PRMT5WDR77
SCHEMBL19633055 0.85 NAMPT (0.38) NAMPTHDAC1
SCHEMBL30944502 0.85 NAMPT (0.42) DRD2NAMPTNR1I3
SCHEMBL30944532 0.85 NAMPT (0.42) DRD2NAMPTNR1I3
SCHEMBL30944533 0.80 CYP17A1 (0.41) DRD2NAMPTHDAC1
SCHEMBL19636843 0.80 GRM4 (0.35) DRD2NAMPTNR1I3
SCHEMBL19633223 0.79 NAMPT (0.43) DRD2NAMPTHDAC1
SCHEMBL19633096 0.78 FGFR1 (0.37) NAMPT
SCHEMBL23629625 0.74 NAMPT (0.50) DRD2NAMPT

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 5 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

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 DRD2 53/4885NAMPT 3033/4885NR1I3 1354/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B DRD2 53/4885NAMPT 3033/4885NR1I3 1354/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B DRD2 53/4885NAMPT 3033/4885NR1I3 1354/4885

“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