SCHEMBL1633436

SCHEMBL1633436

c1csc(-c2cc3cnc(Nc4ccc(N5CCOCC5)cc4)nc3cc2OC2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.50
JUN P05412 2/20 0.50
MAPK8 P45983 2/20 0.50
SYK P43405 3/20 0.48
LRRK2 Q5S007 2/20 0.47
MYLK4 Q86YV6 1/20 0.46
STK17A Q9UEE5 1/20 0.46
TBK1 Q9UHD2 4/20 0.46
JAK2 O60674 3/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
EGFR P00533 1/20 0.42
CDK4 P11802 4/20 0.42
AURKA O14965 1/20 0.42
CCND1 P24385 3/20 0.42
CDK2 P24941 3/20 0.42
FGFR1 P11362 2/20 0.42
CCNA2 P20248 2/20 0.42
FGFR2 P21802 2/20 0.42

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
SCHEMBL1633430 0.91 MAPK10 (0.48) MAPK10JUNMAPK8MYLK4STK17A
SCHEMBL1633408 0.89 MAPK10 (0.47) MAPK10JUNMAPK8LRRK2MYLK4
SCHEMBL1633941 0.88 LRRK2 (0.43) MAPK10JUNMAPK8SYKLRRK2
SCHEMBL1633276 0.87 EGFR (0.50) MAPK10JUNMAPK8LRRK2TBK1
SCHEMBL1633459 0.87 SYK (0.46) MAPK10JUNMAPK8SYKLRRK2
SCHEMBL13336215 0.86 BRAF (0.41) MAPK10JUNMAPK8SYKJAK2
SCHEMBL1868218 0.85 MAPK10 (0.53) MAPK10JUNMAPK8LRRK2MYLK4
SCHEMBL13336220 0.85 CDK4 (0.40) MAPK10JUNMAPK8JAK2CDK4
SCHEMBL13336105 0.85 BRAF (0.48) SYK
SCHEMBL1633845 0.84 JUN (0.50) MAPK10JUNMAPK8SYKLRRK2

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.