SCHEMBL20249594

SCHEMBL20249594

Cc1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
TNK1 Q13470 10/20 0.81
TNK2 Q07912 8/20 0.81
KCNH2 Q12809 1/20 0.68
PARP2 Q9UGN5 1/20 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
SCHEMBL18314102 0.90 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL18314239 0.89 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL18314110 0.87 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL18314192 0.84 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL20249596 0.83 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL18314126 0.83 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL18314106 0.83 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL2366718 0.83 PARP1 (1.00) PARP1TNK1TNK2KCNH2PARP2
SCHEMBL2366520 0.82 PARP1 (1.00) PARP1TNK1TNK2
SCHEMBL18314195 0.82 PARP1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464919-B2 Tricyclic derivative compound, method for preparing same, and pharmaceutical composition comprising same JE IL PHARMACEUTICAL CO., LTD. (KR) 2019-11-05 US disclosed
US-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same ONCONIC THERAPEUTICS INC. (KR) 2018-06-14 US disclosed
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 (2 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
US-10464919-B2 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.