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Sugi Predict / Compounds / SCHEMBL19633096

SCHEMBL19633096

SCHEMBL19633096

C=CCOC(=O)Nc1ccc2cnn(C(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ AGPAT2 O15120 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ AR P10275 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ SCD O00767 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ CYP17A1 P05093 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
SCHEMBL19637500 0.91 ERBB2 (0.43) FGFR1FGFR4GSK3BDYRK1AERBB2
SCHEMBL19614875 0.86 FGFR1 (0.39) FGFR1FGFR4AGPAT2ERBB2NOTUM
SCHEMBL19637502 0.84 ERBB2 (0.42) FGFR1FGFR4AGPAT2ERBB2HDAC8
SCHEMBL19614856 0.82 ERBB2 (0.41) FGFR1FGFR4ACSS2RORCGSK3B
SCHEMBL19636843 0.81 GRM4 (0.35) ACSS2AGPAT2NAMPTERBB2NOTUM
SCHEMBL30944502 0.81 NAMPT (0.42) AGPAT2NAMPTMAPK14CYP17A1
SCHEMBL30944532 0.81 NAMPT (0.42) AGPAT2NAMPTMAPK14CYP17A1
Hydrochloric Acid SCHEMBL19614885 0.79 ERBB2 (0.39) AGPAT2EGFRITKERBB2MAPK14
Hydrochloric Acid SCHEMBL30464341 0.79 ERBB2 (0.39) AGPAT2EGFRITKERBB2MAPK14
SCHEMBL19636657 0.78 DRD2 (0.38) NAMPT

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
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 FGFR1 1664/4885FGFR4 1022/4885ACSS2 4446/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B FGFR1 1664/4885FGFR4 1022/4885ACSS2 4446/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B FGFR1 1664/4885FGFR4 1022/4885ACSS2 4446/4885

“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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