SCHEMBL20249558

SCHEMBL20249558

CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.79
TNK1 Q13470 16/20 0.79
TNK2 Q07912 6/20 0.68

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
SCHEMBL20249578 0.92 PARP1 (0.80) PARP1TNK1TNK2
SCHEMBL20249565 0.91 PARP1 (0.79) PARP1TNK1TNK2
SCHEMBL18314156 0.90 PARP1 (0.74) PARP1TNK1TNK2
SCHEMBL18314236 0.88 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL20249552 0.87 PARP1 (0.69) PARP1TNK1TNK2
SCHEMBL20249583 0.86 PARP1 (0.83) PARP1TNK1TNK2
SCHEMBL20249563 0.86 PARP1 (0.81) PARP1TNK1TNK2
SCHEMBL20249569 0.86 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL20249548 0.85 PARP1 (0.79) PARP1TNK1TNK2
SCHEMBL20249591 0.84 PARP1 (0.84) PARP1TNK1TNK2

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-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same ONCONIC THERAPEUTICS INC. (KR) 2018-06-14 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-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same TNKS, TNKS2, PARP1 PARP1 3/4885TNK1 26/4885TNK2 53/4885

“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.