SCHEMBL19636637

SCHEMBL19636637

Cn1cc(NC(C)(C)C)cc1C(=O)Nc1cc(C(=O)C(C)(C)C)n(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.41
▸ HRAS P01112 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ HPSE Q9Y251 6/20 0.41
▸ POLB P06746 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.38
▸ THRB P10828 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL10110767 0.91 AR (0.35) TOP1HRASESR1ESR2HPSE
SCHEMBL26440372 0.89 HRAS (0.43) TOP1HRASESR1ESR2HPSE
SCHEMBL26440477 0.84 HDAC1 (0.45) TOP1HRASESR1ESR2HPSE
SCHEMBL26440492 0.83 TOP1 (0.40) TOP1HRASESR1ESR2HPSE
SCHEMBL19636634 0.82 HRAS (0.36) TOP1HRASESR1ESR2HPSE
SCHEMBL20796574 0.81 HDAC1 (0.42) TOP1HRASESR1ESR2HPSE
SCHEMBL10110862 0.80 AR (0.35) TOP1HRASESR1ESR2HPSE
SCHEMBL19636638 0.79 PIK3CG (0.37) TOP1HRASESR1ESR2POLB
SCHEMBL19423266 0.74 AR (0.35) TOP1HRASESR1ESR2POLB
SCHEMBL14535121 0.71 TOP1 (0.45) TOP1HRASESR1ESR2HPSE

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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — 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-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 TOP1 778/4885HRAS 2022/4885ESR1 3334/4885
US-20190070194-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, CLTB, FCGR3B TOP1 778/4885HRAS 2022/4885ESR1 3334/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 TOP1 1264/4885HRAS 4650/4885ESR1 2901/4885
US-10660901-B2 Pyrrolobenzodiazepines and conjugates thereof CD79B, CLTB, FCGR3B TOP1 778/4885HRAS 2022/4885ESR1 3334/4885

“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.

Send feedback