SCHEMBL1633947

SCHEMBL1633947

CC(C)N1CCC(Oc2cccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.58
JAK2 O60674 4/20 0.55
JAK1 P23458 2/20 0.55
TYK2 P29597 2/20 0.55
JAK3 P52333 2/20 0.55
HRH3 Q9Y5N1 5/20 0.52
LRRK2 Q5S007 8/20 0.49
PTK2 Q05397 1/20 0.45
TNIK Q9UKE5 1/20 0.44
NTRK1 P04629 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
SCHEMBL1632738 0.88 JAK2 (0.59) MAPK10JAK2JAK1TYK2JAK3
SCHEMBL1633401 0.87 HRH3 (0.51) MAPK10JAK2HRH3LRRK2
SCHEMBL1632375 0.87 LRRK2 (0.51) MAPK10JAK2HRH3LRRK2
SCHEMBL1632073 0.87 CDK4 (0.57) MAPK10JAK2JAK1TYK2JAK3
SCHEMBL1632408 0.86 JAK2 (0.56) JAK2JAK1TYK2JAK3HRH3
SCHEMBL1633525 0.86 JAK2 (0.56) JAK2JAK1TYK2JAK3HRH3
SCHEMBL1633858 0.85 JAK2 (0.49) MAPK10JAK2JAK1TYK2JAK3
SCHEMBL1632641 0.84 JAK2 (0.60) JAK2JAK1TYK2JAK3HRH3
SCHEMBL12724803 0.84 JAK1 (0.57) MAPK10JAK2JAK1TYK2JAK3
SCHEMBL1631106 0.83 JAK2 (0.57) JAK2JAK1TYK2JAK3HRH3

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 402/4885JAK2 1352/4885JAK1 2248/4885

“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.