SCHEMBL182826

SCHEMBL182826

NC(=O)c1ccc(-c2ncnc3ccc(-c4cnc5[nH]ccc5c4)cc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.69
CDK8 P49336 5/20 0.60
CDK7 P50613 2/20 0.60
CCNT1 O60563 1/20 0.60
CCND1 P24385 1/20 0.60
CCNC P24863 1/20 0.60
CDK9 P50750 1/20 0.60
CCNH P51946 1/20 0.60
MNAT1 P51948 1/20 0.60
CDK6 Q00534 1/20 0.60
MAPK1 P28482 1/20 0.49
PIK3CA P42336 5/20 0.48
MTOR P42345 4/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
MAP4K4 O95819 2/20 0.48
PIK3CD O00329 2/20 0.48
PLK4 O00444 1/20 0.48
DCLK1 O15075 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48

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
SCHEMBL3124710 0.83 PIK3CA (0.63) RIPK1CDK8MAPK1PIK3CAMTOR
SCHEMBL858525 0.83 RIPK1 (1.00) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL182642 0.79 PIK3CA (0.69) PIK3CAMTORIRAK4PIK3CDPDGFRB
SCHEMBL183097 0.78 MKNK1 (0.61) PIK3CAMTORIRAK4MAP4K4PIK3CD
SCHEMBL19398217 0.78 IRAK4 (0.55) RIPK1CDK8MAPK1PIK3CAMTOR
SCHEMBL30368585 0.75 CDK8 (1.00) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL299518 0.75 CDK8 (1.00) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL182914 0.75 MKNK1 (0.64) PIK3CAMTORPIK3CDMKNK2PIK3CB
SCHEMBL182568 0.74 PIK3CA (0.48) PIK3CAMTORMAP4K4PIK3CDCHEK2
SCHEMBL182555 0.73 MKNK1 (0.66) PIK3CAMTORIRAK4MAP4K4PIK3CD

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
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA RIPK1 350/4885CDK8 321/4885CDK7 178/4885

“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.