SCHEMBL19633044

SCHEMBL19633044

CC(C)(C)NCc1ccc2c(c1)C=CC2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
LTA4H P09960 1/20 0.33
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19146049 0.81 PRMT6 (0.38) CA2
SCHEMBL6904988 0.75 TRPA1 (0.38) CA2ALDH1A1
SCHEMBL7182926 0.75 CA1 (0.32) CA2
SCHEMBL7193247 0.75 CA2 (0.33) CA2MEN1KMT2A
SCHEMBL6914459 0.73 CNR1 (0.40) CA2
SCHEMBL2633407 0.73 ALDH1A1 (0.43) CHEK1ALDH1A1
SCHEMBL23702732 0.72 NAMPT (0.32) CA2
SCHEMBL21694437 0.72 HRH3 (0.34)
SCHEMBL14945676 0.72 CA1 (0.31) CA2
SCHEMBL6911079 0.71 GABRA1 (0.41) MEN1ALDH1A1CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 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 (2 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 CHEK1 2070/4885LTA4H 3204/4885CA2 4287/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 CHEK1 4071/4885LTA4H 3055/4885CA2 3636/4885

“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.