SCHEMBL1633182

SCHEMBL1633182

Clc1ccc(OC2CCNCC2)c2nc(Nc3cccc(N4CCOCC4)c3)ncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.54
TBK1 Q9UHD2 4/20 0.54
SYK P43405 2/20 0.49
CCNT1 O60563 2/20 0.48
CDK2 P24941 2/20 0.48
CDK9 P50750 2/20 0.48
CCNE1 P24864 1/20 0.48
RIPK2 O43353 2/20 0.47
NTRK1 P04629 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
MAP3K7 O43318 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K1 Q02750 1/20 0.46
CCNA2 P20248 1/20 0.46
PKMYT1 Q99640 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL13498315 0.92 JAK2 (0.51) JAK2TBK1CCNT1CDK2CDK9
SCHEMBL1634274 0.91 CDK4 (0.51) JAK2TBK1SYKCDK2CCNE1
SCHEMBL1633571 0.90 TBK1 (0.54) JAK2TBK1SYKCCNT1CDK2
SCHEMBL1633410 0.88 SYK (0.52) JAK2TBK1SYKCDK2CCNE1
SCHEMBL1633613 0.87 JAK2 (0.61) JAK2TBK1SYKCCNT1CDK2
SCHEMBL1633931 0.85 CDK4 (0.52) JAK2TBK1SYKCDK2CCNE1
SCHEMBL12764435 0.83 JAK2 (0.50) JAK2SYKNTRK1JAK1TYK2
SCHEMBL12724549 0.83 JAK2 (0.50) JAK2SYKJAK1TYK2JAK3
SCHEMBL1634717 0.83 JAK2 (0.50) JAK2SYKNTRK1JAK1TYK2
SCHEMBL13498236 0.82 CDK4 (0.51) JAK2TBK1SYKCDK2CCNE1

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 JAK2 1352/4885TBK1 539/4885SYK 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.