SCHEMBL4604365

SCHEMBL4604365

C=Cc1ccc2ncc3nccn3c2c1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.32
CHEK1 O14757 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31
MAP2K1 Q02750 1/20 0.31
ACVR1 Q04771 1/20 0.31
MAP4K2 Q12851 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
AURKB Q96GD4 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
IKBKB O14920 1/20 0.31
TGFBR1 P36897 1/20 0.30

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
SCHEMBL5098191 0.85 FGFR1 (0.38) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL4602967 0.76 ALK (0.38) MAP3K14CHEK1MAP4K4CSF1RPRKACA
SCHEMBL1417158 0.72 KDM4E (0.55) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL29965863 0.72 KDM4E (0.55) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL4585307 0.72 ADORA3 (0.35)
SCHEMBL30973180 0.71 MAPK8 (0.47)
SCHEMBL9038736 0.69 KDM4E (0.47) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL30641711 0.68 DYRK1A (0.34) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL5695722 0.66 DYRK1A (0.47) MAP3K14DYRK1ADYRK1B
SCHEMBL11413815 0.64 FGFR1 (0.44) ROCK1

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-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US disclosed
EP-1940812-A2 NOVEL CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007038331-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO 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-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 MAP3K14 151/4885CHEK1 1299/4885MAP4K4 530/4885

“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.