SCHEMBL1632073

SCHEMBL1632073

CC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.57
CCND1 P24385 9/20 0.57
CCNE1 P24864 6/20 0.57
CDK2 P24941 6/20 0.57
CDK1 P06493 5/20 0.57
CCNB1 P14635 5/20 0.57
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
TYK2 P29597 2/20 0.51
JAK3 P52333 2/20 0.51
TTK P33981 2/20 0.50
LRRK2 Q5S007 2/20 0.47
JUN P05412 3/20 0.46
MAPK8 P45983 3/20 0.46
MAPK10 P53779 3/20 0.46
TNIK Q9UKE5 1/20 0.46
AURKA O14965 1/20 0.45

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
SCHEMBL1632439 0.92 TTK (0.50) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL13498320 0.88 CDK4 (0.53) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL1633858 0.87 JAK2 (0.49) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL13498319 0.87 CDK4 (0.52) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL1633043 0.87 JAK2 (0.55) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL1634187 0.87 JAK2 (0.57) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL1633947 0.87 MAPK10 (0.58) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL1634409 0.86 JAK2 (0.65) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL1633105 0.86 CDK4 (0.52) CDK4CCND1CCNE1CDK2CDK1
SCHEMBL1632549 0.86 JAK2 (0.54) CDK4CCND1CCNE1CDK2CDK1

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 618/4885CCNE1 637/4885

“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.