SCHEMBL14463522

SCHEMBL14463522

O=C1NC(=O)c2cc3nccnc3c3cccc1c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
CYP1A2 P05177 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP7 P55210 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 2/20 0.47
CISD1 Q9NZ45 2/20 0.47
CASP1 P29466 2/20 0.47
RGS12 O14924 1/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
APEX1 P27695 1/20 0.47
BRCA1 P38398 1/20 0.47
MTOR P42345 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL7975113 0.75 PARP1 (0.46) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL23794347 0.74 PPOX (0.41) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL29029657 0.72 PARP1 (0.53) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL14463494 0.69 CASP1 (0.61) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL28213228 0.69 PARP1 (0.50) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL28257878 0.68 KMT2A (0.67) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL5746359 0.66 MEN1 (0.65) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL29610334 0.66 PARP1 (0.46) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL8637610 0.66 MEN1 (0.59) PARP1CYP1A2MEN1KMT2ACASP7
SCHEMBL11594529 0.66 HKDC1 (0.63) PARP1CYP1A2MEN1KMT2ACASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016028225-A1 PLATINUM COMPLEXES AS ANTICANCER AGENTS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-25 WO disclosed
WO-2007064345-A9 HETEROCYCLIC-SUBSTITUTED BIS-1,8 NAPHTHALIMIDE COMPOUNDS, ANTIBODY DRUG CONJUGATES, AND METHODS OF USE GENENTECH INC (US) 2007-07-12 WO disclosed
US-20070134243-A1 Antibody drug conjugates and methods GENENTECH, INC. 2007-06-14 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-20070134243-A1 Antibody drug conjugates and methods BOD1L1, MKI67, CCNI PARP1 113/4885CYP1A2 2187/4885MEN1 1674/4885

“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.