SCHEMBL1632609

SCHEMBL1632609

CN(C)[C@@H]1CCN(C(=O)c2cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.48
CDK2 P24941 3/20 0.48
CDK9 P50750 1/20 0.47
SYK P43405 3/20 0.45
JAK2 O60674 5/20 0.43
JAK1 P23458 3/20 0.43
JAK3 P52333 3/20 0.43
BRD4 O60885 3/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
FGFR4 P22455 2/20 0.42
MTOR P42345 1/20 0.42
SMG1 Q96Q15 1/20 0.42
STK4 Q13043 3/20 0.42
TYK2 P29597 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL1633194 1.00 CDK1 (0.48) CDK1CDK2CDK9SYKJAK2
SCHEMBL1632614 1.00 CDK1 (0.48) CDK1CDK2CDK9SYKJAK2
SCHEMBL1631212 0.85 MAPK10 (0.47) CDK1CDK2CDK9JAK2JAK1
SCHEMBL1632234 0.85 MAPK10 (0.47) CDK1CDK2CDK9JAK2JAK1
SCHEMBL1631208 0.85 MAPK10 (0.47) CDK1CDK2CDK9JAK2JAK1
SCHEMBL1632748 0.83 MTOR (0.58) CDK1CDK2CDK9SYKJAK2
SCHEMBL1633920 0.83 MTOR (0.49) CDK1CDK2CDK9SYKJAK2
SCHEMBL1634662 0.81 MAPK10 (0.56) SYKJAK2JAK3MTORSMG1
SCHEMBL12724211 0.80 MTOR (0.48) CDK1CDK2CDK9SYKJAK2
SCHEMBL1633514 0.80 CDK1 (0.44) CDK1CDK2CDK9JAK2JAK1

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 CDK1 83/4885CDK2 29/4885CDK9 67/4885

“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.