SCHEMBL22023552

SCHEMBL22023552

CN(CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1)NCl

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.79
TNKS O95271 1/20 0.79
PARP15 Q460N3 1/20 0.79
PARP14 Q460N5 1/20 0.79
PARP10 Q53GL7 1/20 0.79
PARP12 Q9H0J9 1/20 0.79
TNKS2 Q9H2K2 1/20 0.79
PARP2 Q9UGN5 1/20 0.79
PARP4 Q9UKK3 1/20 0.79
PARP3 Q9Y6F1 1/20 0.79
TRPM2 O94759 1/20 0.76
BRD4 O60885 5/20 0.58
P2RY12 Q9H244 2/20 0.49
TERT O14746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KMT2A Q03164 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
Pj34 SCHEMBL29375455 0.88 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL29355630 0.88 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL422317 0.88 PARP1 (1.00) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL5074001 0.87 PARP1 (0.98) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL29419962 0.87 PARP1 (0.98) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL29478302 0.87 PARP1 (0.98) PARP1TNKSPARP15PARP14PARP10
Pj34 SCHEMBL31153313 0.86 TRPM2 (1.00) PARP1TNKSPARP15PARP14PARP10
SCHEMBL20286631 0.85 PARP1 (0.80) PARP1TNKSPARP15PARP14PARP10
SCHEMBL6691492 0.82 PARP1 (0.75) PARP1TNKSPARP15PARP14PARP10
SCHEMBL9961294 0.82 PARP1 (0.75) PARP1TNKSPARP15PARP14PARP10

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-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 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-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL PARP1 1298/4885TNKS 1658/4885PARP15 1946/4885

“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.