SCHEMBL1633369

SCHEMBL1633369

CC(C)Oc1cccc2cnc(Nc3ccc(C(N)=O)cn3)nc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
CDK4 P11802 1/20 0.42
CDK6 Q00534 1/20 0.42
MCHR1 Q99705 1/20 0.41
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 1/20 0.39
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
SYK P43405 1/20 0.38
MAPK8 P45983 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
ALK Q9UM73 1/20 0.37

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
SCHEMBL1634323 0.87 JAK2 (0.47) CDK4MCHR1JAK1JAK3PTK2
SCHEMBL1633247 0.78 GRM5 (0.46) CDK4CDK6MCHR1JAK1JAK3
SCHEMBL1633381 0.77 PTK2 (0.54) JAK1JAK3PTK2JAK2TYK2
SCHEMBL1634286 0.77 AURKA (0.53) CDK4JAK1JAK3PTK2JAK2
SCHEMBL1633421 0.75 MAP3K5 (0.49) CDK4JAK1JAK3JAK2TYK2
SCHEMBL1632814 0.73 CDK2 (0.52) CDK4JAK1JAK3JAK2TYK2
SCHEMBL1632891 0.71 JAK2 (0.48) CDK4CDK6MCHR1JAK1JAK3
SCHEMBL1633395 0.71 CDK2 (0.49) CDK4CDK6JAK1JAK3JAK2
SCHEMBL1632131 0.71 BMPR2 (0.52) CDK6JAK3PTK2JAK2TYK2
SCHEMBL1632354 0.71 PKM (0.43) CDK4JAK1JAK3JAK2TYK2

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 NNMT 1433/4885CDK4 24/4885CDK6 57/4885

“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.