SCHEMBL4497667

SCHEMBL4497667

N#Cc1ccc2nccc(CCN3CC[C@H](NC(=O)O)[C@H](O)C3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CDK8 P49336 8/20 0.38
CCNC P24863 7/20 0.38
CDK19 Q9BWU1 3/20 0.38
KCNH2 Q12809 2/20 0.38
HRH1 P35367 1/20 0.38
MAP4K2 Q12851 1/20 0.38
HASPIN Q8TF76 1/20 0.38
HTR1D P28221 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CCR3 P51677 1/20 0.37
CDK1 P06493 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL4497675 1.00 DRD2 (0.39) DRD2DRD3IDO1TDO2CDK8
Hydrochloric Acid SCHEMBL4480929 0.82 HRH3 (0.38) DRD2DRD3IDO1TDO2CDK8
SCHEMBL5305787 0.81 CCR3 (0.42) DRD2DRD3IDO1TDO2CDK8
SCHEMBL13921377 0.78 KCNH2 (0.48) KCNH2
SCHEMBL4484328 0.78 KCNH2 (0.48) KCNH2
SCHEMBL13921378 0.78 KCNH2 (0.61) KCNH2
SCHEMBL6206362 0.78 KCNH2 (0.41) CDK8KCNH2
SCHEMBL4487393 0.78 KCNH2 (0.61) KCNH2
SCHEMBL6206318 0.78 KCNH2 (0.39) CDK8CCNCCDK19KCNH2MAP4K2
SCHEMBL6206862 0.77 SLC22A12 (0.38) DRD2DRD3IDO1TDO2CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 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-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 DRD2 311/4885DRD3 690/4885IDO1 328/4885

“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.