SCHEMBL3400822

SCHEMBL3400822

N#Cc1ccc2nccc(C=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.46
CDK8 P49336 5/20 0.46
CCNC P24863 3/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
GAK O14976 1/20 0.44
RIPK2 O43353 1/20 0.44
COQ8A Q8NI60 1/20 0.44
NLK Q9UBE8 1/20 0.44
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL4478426 0.83 CDK8 (0.46) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL16289814 0.79 CDK8 (0.48) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL14178720 0.76 PIK3CA (0.43) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL29843629 0.76 SLC22A12 (0.51) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL633785 0.76 CDK8 (0.48) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL23625624 0.76 CDK8 (0.48) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL29843782 0.76 CDK8 (0.48) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL730084 0.76 PDE5A (0.49) SLC22A12CDK8CCNCGAKRIPK2
SCHEMBL981901 0.76 CDK8 (0.51) SLC22A12CDK8CCNCCCR1CCR5
SCHEMBL30369707 0.76 PDE5A (0.49) SLC22A12CDK8CCNCGAKRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015678-A Fused pyridine active substances as c-Met inhibitors HOFFMANN LA ROCHE 2011-04-13 CN disclosed
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
US-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 US disclosed
EP-2247584-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 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-20110053935-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET MET, ROS1, ABL1 SLC22A12 2947/4885CDK8 658/4885CCNC 945/4885

“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.