SCHEMBL1634973

SCHEMBL1634973

O=C(c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1F)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.54
JAK1 P23458 4/20 0.54
JAK3 P52333 4/20 0.54
TYK2 P29597 2/20 0.54
TNIK Q9UKE5 1/20 0.48
BRD4 O60885 4/20 0.47
BRD2 P25440 2/20 0.47
BRD3 Q15059 2/20 0.47
BRDT Q58F21 2/20 0.47
CDK4 P11802 3/20 0.46
CSF1R P07333 1/20 0.46
CDK6 Q00534 1/20 0.46
FLT3 P36888 1/20 0.46
PTK2 Q05397 5/20 0.45
MAPK10 P53779 1/20 0.45
ALK Q9UM73 1/20 0.44
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 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
SCHEMBL1632928 0.94 JAK2 (0.54) JAK2JAK1JAK3TYK2TNIK
SCHEMBL1634250 0.93 JAK2 (0.56) JAK2JAK1JAK3TYK2TNIK
SCHEMBL1634131 0.91 JAK2 (0.58) JAK2JAK1JAK3TYK2TNIK
SCHEMBL1632726 0.91 JAK2 (0.54) JAK2JAK1JAK3TYK2TNIK
SCHEMBL1632647 0.87 LRRK2 (0.44) JAK2JAK1JAK3BRD4BRD2
SCHEMBL1633277 0.87 JAK2 (0.52) JAK2JAK1JAK3TYK2TNIK
SCHEMBL1632738 0.87 JAK2 (0.59) JAK2JAK1JAK3TYK2TNIK
SCHEMBL1633875 0.86 JAK2 (0.59) JAK2JAK1JAK3TYK2TNIK
SCHEMBL12724681 0.86 JAK2 (0.54) JAK2JAK1JAK3TYK2TNIK
SCHEMBL1634146 0.86 PTK2 (0.59) JAK2JAK1JAK3TYK2TNIK

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 1352/4885JAK1 2248/4885JAK3 2027/4885

“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.