SCHEMBL1632055

SCHEMBL1632055

CN1CCC(NCc2cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 4/20 0.46
▸ CDK2 P24941 4/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ STK4 Q13043 9/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIK3R1 P27986 1/20 0.45
▸ IKBKB O14920 2/20 0.44
▸ CCNT1 O60563 2/20 0.43
▸ CCNB2 O95067 2/20 0.43
▸ CCNE2 O96020 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ CCNB3 Q8WWL7 2/20 0.43
▸ SYK P43405 1/20 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
SCHEMBL1634500 0.89 SYK (0.49) CCNE1CDK2IKBKBCCNT1CCNB2
SCHEMBL1632121 0.87 SYK (0.45) CCNE1CDK2JAK2TYK2STK4
SCHEMBL1633031 0.85 FGFR4 (0.47) CCNE1CDK2TYK2STK4PIK3CD
SCHEMBL1633835 0.79 IKBKB (0.47) CCNE1CDK2TYK2STK4IKBKB
SCHEMBL1633530 0.79 JAK2 (0.58) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL13498245 0.79 CDK2 (0.48) CCNE1CDK2STK4IKBKBCCNT1
SCHEMBL1633321 0.79 CA1 (0.48) CCNE1CDK2TYK2STK4IKBKB
SCHEMBL1632328 0.78 CA2 (0.50) CCNE1CDK2STK4IKBKBCCNT1
SCHEMBL1633485 0.78 SYK (0.49) CCNE1CDK2JAK2JAK1TYK2
SCHEMBL1633514 0.78 CDK1 (0.44) CDK2JAK2JAK1TYK2JAK3

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 CCNE1 637/4885CDK2 29/4885JAK2 1352/4885

“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.

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