SCHEMBL1634794

SCHEMBL1634794

Brc1cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2cc1OC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.51
CCND1 P24385 3/20 0.51
CDK2 P24941 3/20 0.51
SYK P43405 3/20 0.51
FGFR1 P11362 2/20 0.51
CCNA2 P20248 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR4 P22455 2/20 0.51
FGFR3 P22607 2/20 0.51
CCND2 P30279 1/20 0.51
CCND3 P30281 1/20 0.51
CCNA1 P78396 1/20 0.51
JAK2 O60674 3/20 0.50
TBK1 Q9UHD2 3/20 0.50
LRRK2 Q5S007 1/20 0.50
MAPK10 P53779 1/20 0.50
IGF1R P08069 6/20 0.49
MYLK4 Q86YV6 1/20 0.47
STK17A Q9UEE5 1/20 0.47
AURKA O14965 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
SCHEMBL1633015 0.89 CDK4 (0.51) CDK4CCND1CDK2SYKFGFR1
SCHEMBL1632917 0.89 SYK (0.50) CDK4CCND1CDK2SYKJAK2
SCHEMBL1633664 0.87 TBK1 (0.52) CDK4CCND1CDK2SYKCCNA2
SCHEMBL1633826 0.87 TBK1 (0.62) SYKJAK2TBK1LRRK2
SCHEMBL1632467 0.87 IGF1R (0.49) CDK4CCND1CDK2JAK2TBK1
SCHEMBL1634307 0.85 MAPK10 (0.55) CDK4CCND1CDK2SYKJAK2
SCHEMBL1633417 0.84 MAPK10 (0.57) CDK4CCND1CDK2SYKCCNA2
SCHEMBL1633301 0.84 MAPK10 (0.53) CDK4CCND1CDK2SYKJAK2
SCHEMBL1633436 0.83 MAPK10 (0.50) CDK4CCND1CDK2SYKFGFR1
SCHEMBL13362907 0.83 TBK1 (0.56) CDK4CCND1CDK2SYKJAK2

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 618/4885CDK2 29/4885

“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.