SCHEMBL1636291

SCHEMBL1636291

CN1CCC(Oc2cccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.56
JAK2 O60674 4/20 0.56
TYK2 P29597 3/20 0.56
JAK1 P23458 2/20 0.56
BMPR2 Q13873 9/20 0.51
CDK2 P24941 5/20 0.50
CDK1 P06493 4/20 0.50
CCNE1 P24864 4/20 0.50
CDK5 Q00535 4/20 0.50
CCNT1 O60563 3/20 0.50
CCNB1 P14635 3/20 0.50
CDK9 P50750 3/20 0.50
CDK5R1 Q15078 3/20 0.50
CCNA2 P20248 1/20 0.50
CCND3 P30281 1/20 0.50
FLT3 P36888 1/20 0.50
CDK6 Q00534 1/20 0.50
CCNE2 O96020 3/20 0.49
CCNB2 O95067 2/20 0.49
CCNB3 Q8WWL7 2/20 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
SCHEMBL1633530 0.91 JAK2 (0.58) JAK3JAK2TYK2JAK1CDK2
SCHEMBL13498292 0.87 JAK3 (0.63) JAK3JAK2TYK2JAK1BMPR2
SCHEMBL1632506 0.86 JAK2 (0.55) JAK3JAK2TYK2JAK1CDK2
SCHEMBL1632504 0.86 JAK2 (0.55) JAK3JAK2TYK2JAK1CDK2
SCHEMBL1633462 0.86 JAK2 (0.55) JAK3JAK2TYK2JAK1CDK2
SCHEMBL1633319 0.84 JAK3 (0.49) JAK3JAK2TYK2JAK1BMPR2
SCHEMBL1633259 0.83 JAK2 (0.63) JAK3JAK2TYK2JAK1BMPR2
SCHEMBL1632939 0.82 JAK2 (0.51) JAK3JAK2TYK2JAK1CDK2
SCHEMBL1634722 0.81 JAK2 (0.54) JAK3JAK2TYK2JAK1CDK2
SCHEMBL4773372 0.81 JAK2 (0.42) JAK3JAK2TYK2JAK1BMPR2

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 5 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO 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 JAK3 2027/4885JAK2 1352/4885TYK2 1796/4885

“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.