SCHEMBL18176928

SCHEMBL18176928

Nc1ccc(-c2ccccc2)c2c1C(=O)NCC2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.60
PARP11 Q9NR21 8/20 0.60
PDE4B Q07343 4/20 0.58
PARP1 P09874 7/20 0.50
KDR P35968 1/20 0.41
PDPK1 O15530 1/20 0.40
ACHE P22303 1/20 0.40
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39

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
SCHEMBL3043388 0.84 KDR (0.54) PARP10PARP11PDE4BKDR
SCHEMBL18170928 0.77 PARP10 (0.55) PARP10PARP11PDE4BPARP1
SCHEMBL8301032 0.74 PARP10 (0.51) PARP10PARP11PDE4BPARP1ACHE
SCHEMBL1746260 0.74 PDE4B (1.00) PDE4B
SCHEMBL18170862 0.73 KDR (0.56) PARP10PARP11PDE4BPARP1KDR
SCHEMBL18170525 0.72 MAOA (0.45) PDE4BPARP1CHEK1
SCHEMBL18170546 0.71 KDR (0.50) PARP10PARP11PDE4BKDR
SCHEMBL30701043 0.71 KDR (0.50) PARP10PARP11PDE4BKDR
SCHEMBL18170563 0.70 KDR (0.61) KDR
SCHEMBL18170540 0.70 KDR (0.52) PARP1KDR

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-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA PARP10 2327/4885PARP11 2557/4885PDE4B 4318/4885

“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.