SCHEMBL1633593

SCHEMBL1633593

C#Cc1cc(OC2CCNCC2)c2nc(Nc3ccc(C(=O)N4CCOCC4)cc3)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.46
LRRK2 Q5S007 12/20 0.46
JAK2 O60674 5/20 0.46
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNA2 P20248 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK3 Q00526 1/20 0.44
CDK6 Q00534 1/20 0.44
CDK5R1 Q15078 1/20 0.44
ALK Q9UM73 1/20 0.43
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
TBK1 Q9UHD2 2/20 0.42

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
SCHEMBL1635064 0.89 SYK (0.44) LRRK2JAK2ALKJAK1TYK2
SCHEMBL1632749 0.87 JAK2 (0.50) LRRK2JAK2CDK1CDK4CCNA2
SCHEMBL1632738 0.86 JAK2 (0.59) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL12764789 0.85 MAPK10 (0.48) MAPK10LRRK2JAK2ALKTBK1
SCHEMBL1634524 0.85 LRRK2 (0.47) MAPK10LRRK2JAK2ALKTBK1
SCHEMBL12725013 0.85 LRRK2 (0.46) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL1633698 0.84 CDK4 (0.48) LRRK2JAK2CDK1CDK4CCNA2
SCHEMBL1632752 0.82 SYK (0.45) JAK2CDK1CDK4CCND1CCNE1
SCHEMBL1634987 0.82 MAPK10 (0.50) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL13498322 0.81 LRRK2 (0.51) MAPK10LRRK2JAK2

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 MAPK10 402/4885LRRK2 454/4885JAK2 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.