SCHEMBL1633430

SCHEMBL1633430

CN1CCC(Oc2cc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3cc2-c2nccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.48
JUN P05412 2/20 0.48
MAPK8 P45983 2/20 0.48
EGFR P00533 5/20 0.46
TBK1 Q9UHD2 2/20 0.45
MAP4K1 Q92918 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
CDK4 P11802 6/20 0.44
CDK1 P06493 4/20 0.44
CCND1 P24385 4/20 0.44
CCNB1 P14635 3/20 0.44
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
PDGFRB P09619 2/20 0.43
SRC P12931 2/20 0.43
PDGFRA P16234 2/20 0.43
SLC2A1 P11166 1/20 0.43
FGFR1 P11362 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
SCHEMBL1633408 0.92 MAPK10 (0.47) MAPK10JUNMAPK8EGFRTBK1
SCHEMBL1633436 0.91 MAPK10 (0.50) MAPK10JUNMAPK8EGFRTBK1
SCHEMBL1633276 0.90 EGFR (0.50) MAPK10JUNMAPK8EGFRTBK1
SCHEMBL13336221 0.88 MAP4K1 (0.42) EGFRMAP4K1PDGFRBSRCPDGFRA
SCHEMBL1633457 0.87 EGFR (0.40) MAPK10JUNMAPK8EGFRTBK1
SCHEMBL1868218 0.87 MAPK10 (0.53) MAPK10JUNMAPK8CYP1A1CYP1A2
SCHEMBL13336160 0.86 MAP4K1 (0.48) MAP4K1PDGFRBSRCPDGFRAFGFR1
SCHEMBL13336102 0.85 MAP4K1 (0.45) MAP4K1PDGFRBSRCPDGFRAFGFR1
SCHEMBL13336223 0.85 CDK4 (0.39) EGFRMAP4K1CDK4CDK1CCND1
SCHEMBL13336162 0.84 MAP4K1 (0.45) MAP4K1PDGFRBSRCPDGFRAFGFR1

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.