SCHEMBL1633600

SCHEMBL1633600

FC(F)(F)c1ccc(OC2CCNCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.49
CCND1 P24385 6/20 0.49
CCND2 P30279 1/20 0.49
CCND3 P30281 1/20 0.49
CDK1 P06493 4/20 0.49
CCNB1 P14635 4/20 0.49
CCNE1 P24864 4/20 0.49
CDK2 P24941 4/20 0.49
JAK2 O60674 5/20 0.48
TBK1 Q9UHD2 3/20 0.48
LRRK2 Q5S007 5/20 0.48
SYK P43405 2/20 0.47
CDK6 Q00534 1/20 0.45
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
FLT3 P36888 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
SCHEMBL1633361 0.87 FLT3 (0.52) JAK2LRRK2FLT3
SCHEMBL1633643 0.87 CDK4 (0.51) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1634274 0.87 CDK4 (0.51) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL13498236 0.87 CDK4 (0.51) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1634409 0.82 JAK2 (0.65) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL1633288 0.81 CDK4 (0.54) CDK4CCND1CCND2CCND3CDK1
SCHEMBL1633235 0.81 CDK4 (0.62) CDK4CCND1CCND2CCND3CDK1
SCHEMBL1633182 0.78 JAK2 (0.54) CCNE1CDK2JAK2TBK1SYK
SCHEMBL1633571 0.78 TBK1 (0.54) CDK4CCND1CDK1CCNB1CCNE1
SCHEMBL13498239 0.78 CDK4 (0.51) CDK4CCND1CDK1CCNB1CCNE1

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 CDK4 24/4885CCND1 618/4885CCND2 755/4885

“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.