SCHEMBL1633346

SCHEMBL1633346

CC(C)N1CCC(Oc2cc(Br)cc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.43
CDK1 P06493 5/20 0.43
CDK9 P50750 5/20 0.43
CA2 P00918 5/20 0.43
CDK4 P11802 4/20 0.43
CDK7 P50613 3/20 0.43
CCNT1 O60563 3/20 0.43
KDR P35968 2/20 0.43
CCND1 P24385 2/20 0.43
CCNH P51946 1/20 0.43
STK4 Q13043 4/20 0.43
CCNE1 P24864 3/20 0.42
CCNB1 P14635 2/20 0.42
IGF1R P08069 1/20 0.42
CCNA2 P20248 3/20 0.41
CDK6 Q00534 2/20 0.41
IKBKB O14920 2/20 0.40
PDE5A O76074 1/20 0.40
CCNA1 P78396 1/20 0.40
JAK2 O60674 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
SCHEMBL1634243 0.88 JAK2 (0.42) CDK2CDK1CDK4CCND1CCNE1
SCHEMBL1633774 0.87 STK4 (0.41) CDK2CDK1CDK9CA2CDK4
SCHEMBL1631022 0.87 JAK2 (0.54) CDK2CDK1CDK9CA2CDK4
SCHEMBL1631902 0.85 IKBKB (0.48) CDK2CDK1CDK9CA2CDK4
SCHEMBL13498359 0.84 PDE5A (0.45) CDK2CDK1CDK9CA2CDK4
SCHEMBL1632946 0.81 IKBKB (0.45) CDK2CDK1CDK9CA2CDK4
SCHEMBL1631095 0.81 STK4 (0.45) CDK2CDK1CDK9CA2CDK4
SCHEMBL1571584 0.80 CDK2 (0.51) CDK2CDK1CDK9CA2CDK4
SCHEMBL1633244 0.80 PDE5A (0.43) CDK2CDK1CDK9CA2CDK4
SCHEMBL1570832 0.79 CA2 (0.52) CDK2CDK1CDK9CA2CDK4

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 8 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO 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 CDK2 29/4885CDK1 83/4885CDK9 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.