SCHEMBL1633271

SCHEMBL1633271

CN1CCC(Nc2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.57
MAPK10 P53779 4/20 0.57
SYK P43405 4/20 0.52
JUN P05412 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
CDK4 P11802 6/20 0.51
CCND1 P24385 5/20 0.51
CDK2 P24941 4/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNE1 P24864 3/20 0.51
CCND2 P30279 3/20 0.50
CCND3 P30281 3/20 0.50
CCNA2 P20248 2/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
CCNA1 P78396 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
EGFR P00533 1/20 0.49

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
SCHEMBL12724504 0.88 SYK (0.57) MAP4K1MAPK10SYKMAPK8EGFR
SCHEMBL1632135 0.87 JAK3 (0.49) MAP4K1SYKMAPK8CDK4CDK2
SCHEMBL1634204 0.85 IKBKB (0.56) MAP4K1MAPK10SYKMAPK8MAPK9
SCHEMBL1633371 0.85 LRRK2 (0.54) MAP4K1MAPK10SYKCDK4CCND1
SCHEMBL1634285 0.83 MAP4K1 (0.55) MAP4K1MAPK10SYKJUNMAPK8
SCHEMBL24426202 0.82 SYK (0.62) SYKCDK2CCND3CCNA2
SCHEMBL29575826 0.81 MAPK10 (0.66) MAP4K1MAPK10SYKJUNMAPK8
SCHEMBL1632932 0.80 SYK (0.51) MAP4K1SYKCDK2CDK1CCNB1
SCHEMBL18376719 0.78 MAP4K1 (0.62) MAP4K1MAPK10CDK4CDK2CCNE1
SCHEMBL29575670 0.77 MAP4K1 (0.52) MAP4K1MAP4K3AURKA

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 MAP4K1 48/4885MAPK10 402/4885SYK 4204/4885

“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.