SCHEMBL1633769

SCHEMBL1633769

CC(C)N1CCC(Oc2ccc3cnc(Nc4cccc(N5CCCC5)c4)nc3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
RIPK2 O43353 1/20 0.40
JAK3 P52333 1/20 0.40
SYK P43405 1/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MAP4K1 Q92918 1/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
CCNA1 P78396 1/20 0.39
EGFR P00533 1/20 0.39
BRD4 O60885 2/20 0.39
SCN9A Q15858 1/20 0.39
CDK4 P11802 1/20 0.39

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
SCHEMBL1634293 0.93 MAP4K1 (0.48) JAK3CCNA2CDK2CDK5CDK5R1
SCHEMBL12724944 0.92 MARK3 (0.46) HRH3RIPK2JAK3CCNA2CDK2
SCHEMBL1633360 0.92 RIPK2 (0.49) HRH3RIPK2JAK3SYKCCNA2
SCHEMBL1634247 0.86 SCN9A (0.46) HRH3MAP4K1SCN9ACDK4CCND1
SCHEMBL1632964 0.86 USP2 (0.49) SYKCCNA2CDK2CDK5CDK5R1
SCHEMBL12724921 0.86 SYK (0.44) HRH3SYKSCN9ACDK4CCND1
SCHEMBL1633193 0.84 EGFR (0.46) MAP4K1EGFRSCN9A
SCHEMBL1633691 0.83 JAK2 (0.51) RIPK2JAK3CCNA2CDK2CCNT1
SCHEMBL12724942 0.82 MARK3 (0.49) RIPK2JAK3SYKCCNA2CDK2
SCHEMBL1633930 0.82 HRH3 (0.43) HRH3MAP4K1SCN9ACDK4CCND1

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 HRH3 3514/4885RIPK2 578/4885JAK3 2027/4885

“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.