SCHEMBL1633360

SCHEMBL1633360

CC(C)N1CCC(Oc2ccc3cnc(Nc4cccc(N5CCOCC5)c4)nc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.49
CDK2 P24941 5/20 0.48
CCNA2 P20248 4/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CCNT1 O60563 4/20 0.47
CDK9 P50750 4/20 0.47
CCNE1 P24864 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
MAPK10 P53779 1/20 0.45
JAK2 O60674 2/20 0.45
TBK1 Q9UHD2 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAP3K7 O43318 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.43
JAK3 P52333 2/20 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
SCHEMBL1633769 0.92 HRH3 (0.43) RIPK2CDK2CCNA2CDK5CDK5R1
SCHEMBL1634293 0.91 MAP4K1 (0.48) CDK2CCNA2CDK5CDK5R1CCNT1
SCHEMBL12724944 0.90 MARK3 (0.46) RIPK2CDK2CCNA2CCNT1CDK9
SCHEMBL1633265 0.87 SYK (0.54) RIPK2CDK2CCNA2CDK5CDK5R1
SCHEMBL1634247 0.84 SCN9A (0.46) HRH3
SCHEMBL12724921 0.84 SYK (0.44) HRH3SYKPKMYT1
SCHEMBL1632964 0.84 USP2 (0.49) CDK2CCNA2CDK5CDK5R1MAPK1
SCHEMBL1632439 0.84 TTK (0.50) RIPK2CDK2CCNA2CCNT1CDK9
SCHEMBL1633193 0.82 EGFR (0.46)
SCHEMBL1634285 0.82 MAP4K1 (0.55) CDK2CCNA2CDK5CDK5R1CCNE1

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 RIPK2 578/4885CDK2 29/4885CCNA2 731/4885

“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.