SCHEMBL1633485

SCHEMBL1633485

CN1CCC(Nc2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.49
MAPK10 P53779 5/20 0.48
JUN P05412 2/20 0.47
JAK2 O60674 2/20 0.46
BRD4 O60885 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
IKBKB O14920 2/20 0.45
EGFR P00533 2/20 0.45
MAP4K1 Q92918 1/20 0.44
CDK2 P24941 3/20 0.44
CDK1 P06493 2/20 0.44
CDK9 P50750 2/20 0.44
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
CCNE1 P24864 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 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
SCHEMBL1632787 0.88 JAK2 (0.45) SYKMAPK10JUNJAK2BRD4
SCHEMBL1634523 0.83 MAPK10 (0.45) SYKMAPK10JUNJAK2BRD4
SCHEMBL1632764 0.83 BRD4 (0.51) MAPK10JAK2BRD4EGFRCDK2
SCHEMBL1633935 0.83 MAPK10 (0.62) MAPK10JAK2BRD4IKBKBEGFR
SCHEMBL1633192 0.82 JAK2 (0.55) MAPK10JUNJAK2BRD4IKBKB
SCHEMBL1632115 0.81 JAK2 (0.66) JAK2BRD4JAK1JAK3EGFR
SCHEMBL1633475 0.80 MAPK10 (0.53) MAPK10JUNIKBKBCDK2CDK1
SCHEMBL1633187 0.80 MTOR (0.60) MAPK10JAK2BRD4IKBKBEGFR
SCHEMBL1633149 0.80 CA1 (0.48) MAPK10JAK2BRD4IKBKBCDK2
SCHEMBL1632623 0.79 MAPK10 (0.53) MAPK10JAK2BRD4IKBKBEGFR

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 SYK 4204/4885MAPK10 402/4885JUN 544/4885

“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.