SCHEMBL4269255

SCHEMBL4269255

COc1ccc2nccc(NC(=O)n3ccnc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
LMNA P02545 1/20 0.49
KDM4E B2RXH2 2/20 0.48
KDR P35968 3/20 0.47
RIPK2 O43353 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAK O14976 1/20 0.46
COQ8A Q8NI60 1/20 0.46
NLK Q9UBE8 1/20 0.46
DDR2 Q16832 1/20 0.45
PDGFRA P16234 1/20 0.45
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
CYP1A2 P05177 1/20 0.44
CLK2 P49760 2/20 0.42
HIPK4 Q8NE63 2/20 0.42

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
SCHEMBL4277304 0.81 GSK3A (0.42) KDRMAPK1PDGFRACLK2HIPK4
SCHEMBL11458637 0.79 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL4282967 0.75 KDM4E (0.48) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL13857011 0.74 KCNH2 (0.47) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL7661526 0.72 HTR2C (0.73) LMNAKDM4EKDRMAPK1NPSR1
SCHEMBL31388161 0.71 GRM5 (0.42) LMNAKDM4EMAPK1CYP1A2TP53
SCHEMBL6985604 0.71 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL30880707 0.71 GAK (0.58) HTR1AADRA1DADRA1AADRA1BKDR
SCHEMBL27580862 0.70 KDM4E (0.46) LMNAKDM4EMAPK1NPSR1MAPT
SCHEMBL3064565 0.70 HTR1A (0.67) HTR1AADRA1DADRA1AADRA1BLMNA

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 8 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
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 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-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 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 (3 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 HTR1A 1467/4885ADRA1D 577/4885ADRA1A 1178/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 HTR1A 796/4885ADRA1D 376/4885ADRA1A 276/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 HTR1A 1465/4885ADRA1D 635/4885ADRA1A 537/4885

“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.