SCHEMBL1634669

SCHEMBL1634669

CC(C)Oc1cccc2cnc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
PDE5A O76074 3/20 0.49
SRC P12931 1/20 0.49
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CDK4 P11802 4/20 0.48
CDK6 Q00534 4/20 0.48
CCNT1 O60563 3/20 0.47
CDK1 P06493 3/20 0.47
CCNA2 P20248 3/20 0.47
CCND1 P24385 3/20 0.47
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
CCND3 P30281 3/20 0.47
CDK7 P50613 3/20 0.47
CDK9 P50750 3/20 0.47
CDK3 Q00526 3/20 0.47
CDK5R1 Q15078 3/20 0.47
PIK3CD O00329 1/20 0.47
PIK3C2G O75747 1/20 0.47

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
SCHEMBL1633395 0.82 CDK2 (0.49) CDK4CDK6CCNT1CDK1CCNA2
SCHEMBL1633850 0.82 JAK2 (0.65) SRCCA12CA2CDK4CDK6
SCHEMBL1632814 0.81 CDK2 (0.52) CA12CA2CDK4CCNT1CDK1
SCHEMBL1631342 0.81 CDK2 (0.45) CDK4CCNT1CDK1CCNA2CCND1
SCHEMBL1632354 0.77 PKM (0.43) CDK4CCNT1CDK1CCND1CCNE1
SCHEMBL1633421 0.75 MAP3K5 (0.49) SRCCDK4CDK1CCND1CCNE1
SCHEMBL1633858 0.75 JAK2 (0.49) CDK4CCNT1CDK1CCNA2CCND1
SCHEMBL1634323 0.74 JAK2 (0.47) CDK4CDK1CCND1CCNE1CDK2
SCHEMBL26061435 0.74 ALK (0.64) BRD4CDK4CDK1CCND1CCNE1
SCHEMBL1634282 0.74 ACVR1 (0.52) CCNT1CDK1CCNA2CCNE1CDK2

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 BRD4 268/4885PDE5A 1233/4885SRC 1131/4885

“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.