SCHEMBL1633145

SCHEMBL1633145

CN1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(S(=O)(=O)N6CCOCC6)cc5)nc34)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.55
JAK2 O60674 1/20 0.53
BRD4 O60885 1/20 0.53
JUN P05412 4/20 0.51
MAPK8 P45983 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
FGFR4 P22455 5/20 0.47
ALDH1A1 P00352 2/20 0.47
AXL P30530 1/20 0.47
TYRO3 Q06418 1/20 0.47
MERTK Q12866 1/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
EGFR P00533 1/20 0.44

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
SCHEMBL1632167 0.88 MAPK10 (0.57) MAPK10JAK2BRD4JUNMAPK8
SCHEMBL1633192 0.86 JAK2 (0.55) MAPK10JAK2BRD4JUNMAPK8
SCHEMBL1633868 0.85 MAPK10 (0.57) MAPK10JAK2JUNMAPK8CDK2
SCHEMBL1633468 0.84 MAPK10 (0.51) MAPK10JAK2BRD4JUNMAPK8
SCHEMBL1633048 0.82 MAPK10 (0.66) MAPK10JAK2BRD4JUNMAPK8
SCHEMBL18377031 0.82 JAK2 (0.55) MAPK10JAK2BRD4JUNMAPK8
SCHEMBL1633250 0.81 AXL (0.52) MAPK10JAK2BRD4JUNMAPK8
SCHEMBL1634206 0.80 CTSC (0.52) MAPK10JAK2BRD4JUNMAPK8
SCHEMBL1631590 0.79 MAPK10 (0.50) MAPK10JUNMAPK8AXLTYRO3
SCHEMBL18376655 0.78 JAK2 (0.67) JAK2BRD4FGFR4CCNE1CDK2

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 402/4885JAK2 1352/4885BRD4 268/4885

“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.