SCHEMBL4930627

SCHEMBL4930627

NC(=O)c1ccc(-c2nc(C(=O)O)c(Nc3ccccc3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.49
ILK Q13418 1/20 0.46
TNIK Q9UKE5 1/20 0.45
JAK2 O60674 2/20 0.44
MAPK8 P45983 2/20 0.43
MAPK10 P53779 1/20 0.43
IKBKE Q14164 3/20 0.43
PRKDC P78527 1/20 0.43
ATM Q13315 1/20 0.43
ATR Q13535 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27938049 0.81 TBK1 (0.70) TBK1ILKJAK2IKBKE
SCHEMBL5184988 0.79 TBK1 (0.44) TBK1IKBKE
SCHEMBL5556366 0.75 TBK1 (0.55) TBK1JAK2IKBKEKDM4EMAPT
SCHEMBL2826666 0.71 ROCK1 (0.46) POLBMEN1KMT2APIK3CG
SCHEMBL3117113 0.70 MAPK13 (0.67) JAK2MAPK8MAPK10KDM4EPOLB
SCHEMBL27951113 0.70 TBK1 (0.57) TBK1TNIKMAPK8IKBKEKDM4E
SCHEMBL5555769 0.69 KDM4E (0.51) TBK1IKBKEATMKDM4EPOLB
SCHEMBL5555722 0.69 MEN1 (0.49) TBK1JAK2IKBKEMEN1KMT2A
SCHEMBL5554758 0.69 TBK1 (0.56) TBK1TNIKIKBKEKDM4EMAPT
SCHEMBL2702813 0.68 RAB9A (0.64) KDM4ELMNATP53MAPTMEN1

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-20080167309-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS, LTD. (UK) 2008-07-10 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-20080167309-A1 Pharmaceutical Compounds CCNO, CDK2, CDK1 TBK1 2327/4885ILK 1773/4885TNIK 596/4885

“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.