SCHEMBL8301032

SCHEMBL8301032

Nc1ccc(Br)c2c1C(=O)NCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.51
PARP11 Q9NR21 4/20 0.51
PARP1 P09874 4/20 0.47
CDK5 Q00535 4/20 0.40
CCNB2 O95067 3/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CDK5R1 Q15078 3/20 0.40
CCNB3 Q8WWL7 3/20 0.40
ERBB2 P04626 2/20 0.40
CDK4 P11802 2/20 0.40
PDE4B Q07343 1/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 2/20 0.37

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
SCHEMBL3041897 0.82 PIM1 (0.49) PARP10PARP11PARP1CDK5CDK4
SCHEMBL17330442 0.79 PARP10 (0.51) PARP10PARP11PARP1CDK5CCNB2
SCHEMBL12087085 0.76 KDM4E (0.62) PARP10PARP11PARP1PDE4BMEN1
SCHEMBL18176928 0.74 PARP10 (0.60) PARP10PARP11PARP1PDE4BCHEK1
SCHEMBL18170813 0.74 PARP10 (0.46) PARP10PARP11PARP1HTTKMT2A
SCHEMBL29777567 0.74 PARP10 (0.46) PARP10PARP11PARP1HTTKMT2A
SCHEMBL24317405 0.74 PARP10 (0.41) PARP10PARP11PARP1MEN1KMT2A
SCHEMBL31531330 0.74 KDM4E (0.56) PARP10PARP11MEN1HTTKMT2A
SCHEMBL30675774 0.74 PARP10 (0.41) PARP10PARP11PARP1MEN1KMT2A
SCHEMBL3042262 0.71 PIM1 (0.44) PARP10PARP11PARP1CDK5CDK4

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
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP 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 2557/4885PARP1 2518/4885

“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.