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SCHEMBL19636843

SCHEMBL19636843

C=CCOC(=O)Nc1ccc2c(ccn2C(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.35
▸ AGPAT2 O15120 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ ERBB2 P04626 8/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ ACHE P22303 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
SCHEMBL19614843 0.92 GRM4 (0.36) GRM4AGPAT2NAMPTERBB2NOTUM
SCHEMBL19632860 0.92 ERBB2 (0.42) GRM4AGPAT2NAMPTERBB2
SCHEMBL19633089 0.90 ERBB2 (0.43) GRM4ERBB2
SCHEMBL19633219 0.86 AGPAT2 (0.40) GRM4AGPAT2NAMPTNOTUMMEN1
SCHEMBL19633019 0.85 GRM4 (0.37) GRM4AGPAT2NAMPTERBB2NOTUM
Hydrochloric Acid SCHEMBL30464368 0.85 ERBB2 (0.38) GRM4AGPAT2ERBB2KDM4EMAPT
Hydrochloric Acid SCHEMBL19614868 0.85 ERBB2 (0.38) GRM4AGPAT2ERBB2KDM4EMAPT
Hydrochloric Acid SCHEMBL30464353 0.85 GRM4 (0.37) GRM4AGPAT2NAMPTERBB2NOTUM
SCHEMBL30045662 0.84 ERBB2 (0.37) GRM4ERBB2
SCHEMBL19633039 0.84 ERBB2 (0.40) GRM4AGPAT2NAMPTERBB2MEN1

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-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 GRM4 830/4885AGPAT2 4249/4885NAMPT 3033/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B GRM4 830/4885AGPAT2 4249/4885NAMPT 3033/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B GRM4 830/4885AGPAT2 4249/4885NAMPT 3033/4885

“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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