SCHEMBL4277304

SCHEMBL4277304

COc1cc(F)c2nccc(NC(=O)n3ccnc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.42
GSK3B P49841 3/20 0.42
CDK5 Q00535 2/20 0.42
CDK8 P49336 1/20 0.42
CDK9 P50750 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDR P35968 3/20 0.38
CLK2 P49760 2/20 0.38
HIPK4 Q8NE63 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MAP3K20 Q9NYL2 2/20 0.38
STK17A Q9UEE5 2/20 0.38
CDC7 O00311 1/20 0.38
AURKA O14965 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
CSF1R P07333 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4269255 0.81 HTR1A (0.50) GSK3AGSK3BCDK5KDRCLK2
SCHEMBL7145016 0.73 GSK3A (0.40) GSK3AGSK3BCDK5CDK8CDK9
SCHEMBL27595293 0.72 KMT2A (0.34) CDK2KMT2ATP53TBXAS1
SCHEMBL4270077 0.71 NTRK1 (0.44) KMT2AHDAC1
SCHEMBL22279201 0.70 STING1 (0.39)
SCHEMBL2923376 0.68 NOS3 (0.40) MAPK1KMT2A
SCHEMBL27588449 0.68 KDM4E (0.60) KDRAURKAAURKBMET
Oxalic Acid SCHEMBL5264185 0.67 LMNA (0.41) MAPK1PRKAA1KMT2ATP53HDAC1
SCHEMBL31388161 0.67 GRM5 (0.42) MAPK1TP53TBXAS1
SCHEMBL5263146 0.66 ALDH1A1 (0.43) GSK3AGSK3BCDK5CDK9KDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 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-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 GSK3A 4701/4885GSK3B 4753/4885CDK5 3224/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 GSK3A 4750/4885GSK3B 4812/4885CDK5 3667/4885

“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.