SCHEMBL19614875

SCHEMBL19614875

C=CCOC(=O)Nc1ccc2cnn(C(=O)c3cc(N)cn3C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.39
▸ FGFR4 P22455 1/20 0.39
▸ AGPAT2 O15120 1/20 0.37
▸ ERBB2 P04626 1/20 0.34
▸ NOTUM Q6P988 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32
▸ TUBA3E Q6PEY2 1/20 0.32
▸ TUBA1A Q71U36 1/20 0.32
▸ TUBA1C Q9BQE3 1/20 0.32
▸ TUBB6 Q9BUF5 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 SCHEMBL19614885 0.87 ERBB2 (0.39) AGPAT2ERBB2NOTUMHSP90AB1
Hydrochloric Acid SCHEMBL30464341 0.87 ERBB2 (0.39) AGPAT2ERBB2NOTUMHSP90AB1
SCHEMBL19633096 0.86 FGFR1 (0.37) FGFR1FGFR4AGPAT2ERBB2NOTUM
SCHEMBL19637502 0.85 ERBB2 (0.42) FGFR1FGFR4AGPAT2ERBB2HTR1A
SCHEMBL19616820 0.82 FGFR1 (0.39) FGFR1FGFR4NOTUMMEN1KMT2A
SCHEMBL19633019 0.80 GRM4 (0.37) AGPAT2ERBB2NOTUMMEN1KMT2A
Hydrochloric Acid SCHEMBL30464353 0.79 GRM4 (0.37) AGPAT2ERBB2NOTUMMEN1KMT2A
SCHEMBL19637500 0.78 ERBB2 (0.43) FGFR1FGFR4ERBB2
Hydrochloric Acid SCHEMBL30944564 0.78 MEN1 (0.41) AGPAT2MEN1KMT2AALDH1A1HPGD
SCHEMBL19633055 0.77 NAMPT (0.38) AGPAT2ERBB2MEN1KMT2A

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 8 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-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-10143695-B2 Pyrrolobenzodiazepines and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2018-12-04 — — 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
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 (4 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 1022/4885AGPAT2 4249/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B FGFR1 1664/4885FGFR4 1022/4885AGPAT2 4249/4885
US-10143695-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B FGFR1 1664/4885FGFR4 1022/4885AGPAT2 4249/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B FGFR1 1664/4885FGFR4 1022/4885AGPAT2 4249/4885

“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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