SCHEMBL3428078

SCHEMBL3428078

N#Cc1ccc2nccc(-c3cc[nH]n3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 2/20 0.42
RIPK2 O43353 2/20 0.42
COQ8A Q8NI60 2/20 0.42
NLK Q9UBE8 2/20 0.42
SLC22A12 Q96S37 1/20 0.41
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
PDE5A O76074 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MAP3K14 Q99558 4/20 0.39
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
ACVR1 Q04771 1/20 0.35

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
SCHEMBL3399541 0.74 NPC1 (0.47) ACVR1
SCHEMBL731510 0.74 PIK3CA (0.57) GAKRIPK2COQ8ANLKSLC22A12
SCHEMBL31619974 0.72 EGLN2 (0.42) SLC22A12
SCHEMBL28038092 0.72 EGLN2 (0.41) SLC22A12
SCHEMBL29171037 0.72 EGLN2 (0.42) SLC22A12
SCHEMBL15210405 0.71 CCNT1 (0.38) GAKRIPK2COQ8ANLKPDE5A
SCHEMBL24010750 0.70 GAK (0.64) GAKRIPK2COQ8ANLKSLC22A12
SCHEMBL610465 0.69 GAA (0.33)
SCHEMBL3427300 0.69 SLC22A12 (0.39) GAKRIPK2COQ8ANLKSLC22A12
SCHEMBL633785 0.69 CDK8 (0.48) GAKRIPK2COQ8ANLKSLC22A12

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 GAK 627/4885RIPK2 3294/4885COQ8A 2951/4885

“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.