SCHEMBL1633354

SCHEMBL1633354

CN(C)[C@H]1CCN(Cc2cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ STK4 Q13043 8/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ JAK2 O60674 4/20 0.43
▸ BRD4 O60885 3/20 0.43
▸ PTK2 Q05397 2/20 0.42
▸ TNK2 Q07912 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ IKBKB O14920 1/20 0.40

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
SCHEMBL1633514 1.00 CDK1 (0.44) CDK1CDK2CDK9STK4FGFR4
SCHEMBL1633356 1.00 CDK1 (0.44) CDK1CDK2CDK9STK4FGFR4
SCHEMBL1633835 0.83 IKBKB (0.47) CDK1CDK2CDK9STK4PTK2
SCHEMBL1633031 0.82 FGFR4 (0.47) CDK1CDK2CDK9STK4FGFR4
SCHEMBL1633709 0.82 SYK (0.47) CDK1CDK2CDK9STK4JAK2
SCHEMBL1632397 0.81 TBK1 (0.57) CDK1CDK2CDK9JAK2PTK2
SCHEMBL1632154 0.80 CDK2 (0.46) CDK1CDK2CDK9STK4PTK2
SCHEMBL1633194 0.80 CDK1 (0.48) CDK1CDK2CDK9STK4FGFR4
SCHEMBL1632614 0.80 CDK1 (0.48) CDK1CDK2CDK9STK4FGFR4
SCHEMBL1632609 0.80 CDK1 (0.48) CDK1CDK2CDK9STK4FGFR4

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.

Send feedback