SCHEMBL1633488

SCHEMBL1633488

c1cc(-c2ccc(NCCN3CCCC3)nc2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.56
JUN P05412 5/20 0.56
MAPK8 P45983 5/20 0.56
FGFR2 P21802 1/20 0.49
IGF1R P08069 2/20 0.48
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
CCNB1 P14635 2/20 0.48
CCND1 P24385 2/20 0.48
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
TTK P33981 1/20 0.47
JAK2 O60674 1/20 0.46
BRD4 O60885 1/20 0.46
STAT6 P42226 2/20 0.44
NTRK1 P04629 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL1633505 0.93 MAPK10 (0.48) MAPK10JUNMAPK8FGFR2CCNE1
SCHEMBL1632887 0.91 MAPK10 (0.48) MAPK10JUNMAPK8FGFR2TTK
SCHEMBL1633913 0.88 JAK3 (0.48) MAPK10JUNMAPK8FGFR2CDK1
SCHEMBL1631590 0.88 MAPK10 (0.50) MAPK10JUNMAPK8FGFR2IGF1R
SCHEMBL1633928 0.88 MAPK10 (0.69) MAPK10JUNMAPK8FGFR2CDK1
SCHEMBL1634890 0.88 MAPK10 (0.47) MAPK10JUNMAPK8FGFR2CDK1
SCHEMBL1633503 0.87 MAPK10 (0.47) MAPK10JUNMAPK8FGFR2CDK1
SCHEMBL1634397 0.87 MAPK10 (0.59) MAPK10JUNMAPK8FGFR2JAK2
SCHEMBL1633229 0.85 TBK1 (0.49) MAPK10CDK1CDK2JAK2NTRK1
SCHEMBL1633121 0.85 MAPK10 (0.52) MAPK10JUNMAPK8FGFR2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAPK10 402/4885JUN 544/4885MAPK8 267/4885

“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.