Sugi Predict

Sugi Predict / Compounds / SCHEMBL19633039

SCHEMBL19633039

SCHEMBL19633039

C=CCOC(=O)Nc1ccc2c(ccn2C(=O)c2cc(NC(=O)c3nc(N)cn3C)cn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 11/20 0.40
▸ GRM4 Q14833 2/20 0.37
▸ NAMPT P43490 1/20 0.35
▸ AGPAT2 O15120 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ HRAS P01112 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 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
Hydrochloric Acid SCHEMBL30464360 0.99 ERBB2 (0.40) ERBB2GRM4NAMPTAGPAT2MEN1
SCHEMBL19633090 0.98 ERBB2 (0.41) ERBB2GRM4NAMPTAGPAT2HRAS
Hydrochloric Acid SCHEMBL30464359 0.98 ERBB2 (0.41) ERBB2GRM4NAMPTAGPAT2MAPT
Hydrochloric Acid SCHEMBL30464368 0.87 ERBB2 (0.38) ERBB2GRM4AGPAT2MAPTKDM4E
Hydrochloric Acid SCHEMBL19614868 0.87 ERBB2 (0.38) ERBB2GRM4AGPAT2MAPTKDM4E
SCHEMBL19632860 0.86 ERBB2 (0.42) ERBB2GRM4NAMPTAGPAT2
SCHEMBL19614901 0.86 ERBB2 (0.42) ERBB2GRM4HRASESR1ESR2
SCHEMBL19633019 0.85 GRM4 (0.37) ERBB2GRM4NAMPTAGPAT2MEN1
SCHEMBL19633089 0.85 ERBB2 (0.43) ERBB2GRM4
SCHEMBL19614843 0.85 GRM4 (0.36) ERBB2GRM4NAMPTAGPAT2MEN1

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
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
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 ERBB2 65/4885GRM4 830/4885NAMPT 3033/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B ERBB2 65/4885GRM4 830/4885NAMPT 3033/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B ERBB2 65/4885GRM4 830/4885NAMPT 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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