SCHEMBL19865517

SCHEMBL19865517

COc1ccc2c(c(CO)cn2C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
ADRB2 P07550 1/20 0.38
PTGS2 P35354 1/20 0.37
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
S1PR2 O95136 1/20 0.33
HTR6 P50406 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
SCHEMBL5405855 0.73 ALDH1A1 (0.46) NQO2MTNR1AMTNR1BRAB9AALDH1A1
SCHEMBL5420166 0.67 RHEB (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL2921543 0.66 IDO1 (0.47) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL31687084 0.65 TUBB1 (0.50)
SCHEMBL25672751 0.64 NQO2 (0.36) NQO2MTNR1AMTNR1BADRB2MEN1
SCHEMBL7293866 0.64 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL24723387 0.64 HTR2C (0.48) NQO2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL28235281 0.63 HTR2A (0.32) HTR2AGPR84
SCHEMBL1014275 0.63 ALDH1A1 (0.50) MEN1RAB9AKMT2ALMNAALDH1A1
SCHEMBL1710455 0.63 ALDH1A1 (0.50) MEN1RAB9AKMT2ALMNAALDH1A1

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-11576979-B2 Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof GENENTECH, INC. (US) 2023-02-14 US disclosed
WO-2018031662-A1 PYRROLOBENZODIAZEPINE PRODRUGS AND ANTIBODY CONJUGATES THEREOF GENENTECH, INC. (US) 2018-02-15 WO 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-11576979-B2 Pyrrolobenzodiazepine prodrugs and antibody conjugates thereof NQO1, GSTP1, CYBB NQO2 47/4885MTNR1A 624/4885MTNR1B 427/4885

“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.