SCHEMBL1633288

SCHEMBL1633288

Brc1ccc(OC2CCNCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.54
CCND1 P24385 10/20 0.54
CDK2 P24941 6/20 0.54
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54
CCNE1 P24864 4/20 0.54
FGFR1 P11362 4/20 0.51
FGFR2 P21802 4/20 0.51
FGFR4 P22455 4/20 0.51
FGFR3 P22607 4/20 0.51
CCND2 P30279 4/20 0.51
CCND3 P30281 4/20 0.51
CCNA2 P20248 3/20 0.51
CCNA1 P78396 2/20 0.51
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
BRD4 O60885 1/20 0.49
IGF1R P08069 1/20 0.49
CDK6 Q00534 5/20 0.48

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
SCHEMBL1633643 0.94 CDK4 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1634127 0.93 CDK4 (0.49) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1633235 0.89 CDK4 (0.62) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1633607 0.86 JAK2 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1633571 0.84 TBK1 (0.54) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1632091 0.84 IKBKB (0.47) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1632510 0.83 IGF1R (0.51) CDK2CCNE1CCNA2CCNA1IGF1R
SCHEMBL13498236 0.83 CDK4 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1634274 0.83 CDK4 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1633501 0.82 LRRK2 (0.51) CDK4CCND1CDK2CDK1CCNE1

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.