SCHEMBL19633093

SCHEMBL19633093

Cc1ccc2c(ccn2C(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(N)cn4C)cn3C)cn2C)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ ERBB2 P04626 11/20 0.41
▸ MAPT P10636 3/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GRM4 Q14833 1/20 0.35
▸ HRAS P01112 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 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
Hydrochloric Acid SCHEMBL19614842 0.90 ERBB2 (0.40) ERBB2MAPTNAMPTLMNAGRM4
SCHEMBL30464336 0.88 ERBB2 (0.49) ERBB2GRM4
SCHEMBL19614848 0.88 ERBB2 (0.49) ERBB2GRM4
Hydrochloric Acid SCHEMBL19614858 0.88 ERBB2 (0.39) ERBB2MAPTNAMPTLMNAGRM4
Hydrochloric Acid SCHEMBL19614938 0.86 ERBB2 (0.42) ERBB2NAMPTHRASESR1ESR2
Hydrochloric Acid SCHEMBL19614940 0.85 HRAS (0.39) ERBB2HRASESR1ESR2
SCHEMBL19632862 0.83 ERBB2 (0.44) THRBERBB2MAPTLMNAGRM4
SCHEMBL19633090 0.82 ERBB2 (0.41) ERBB2NAMPTGRM4HRASESR1
Hydrochloric Acid SCHEMBL30464359 0.82 ERBB2 (0.41) ERBB2MAPTNAMPTGRM4HRAS
SCHEMBL19633039 0.80 ERBB2 (0.40) ERBB2MAPTNAMPTLMNAGRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 THRB 1218/4885ERBB2 65/4885MAPT 709/4885

“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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