SCHEMBL1633919

SCHEMBL1633919

Fc1cccc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
JAK3 P52333 1/20 0.50
SYK P43405 2/20 0.44
PAK4 O96013 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
FLT3 P36888 1/20 0.42
TNIK Q9UKE5 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
PDPK1 O15530 2/20 0.40
TBK1 Q9UHD2 2/20 0.40
CHEK1 O14757 3/20 0.39
NTRK1 P04629 2/20 0.39
GRM5 P41594 1/20 0.38
PRKCQ Q04759 1/20 0.38

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
SCHEMBL1634717 0.89 JAK2 (0.50) JAK2JAK1TYK2JAK3SYK
SCHEMBL1632431 0.89 JAK2 (0.52) JAK2JAK1TYK2JAK3SYK
SCHEMBL1633607 0.88 JAK2 (0.51) JAK2JAK1TYK2JAK3SYK
SCHEMBL1634109 0.85 JAK2 (0.67) JAK2JAK1TYK2JAK3SYK
SCHEMBL1633571 0.83 TBK1 (0.54) JAK2JAK1TYK2JAK3SYK
SCHEMBL1571886 0.82 IKBKB (0.48) JAK2JAK1TYK2JAK3SYK
SCHEMBL1633103 0.80 JAK2 (0.44) JAK2JAK1TYK2JAK3SYK
SCHEMBL1632091 0.80 IKBKB (0.47) JAK2JAK1TYK2JAK3SYK
SCHEMBL1633150 0.80 CDK4 (0.52) JAK2JAK1TYK2JAK3SYK
SCHEMBL1633288 0.79 CDK4 (0.54) JAK2JAK1TYK2JAK3TBK1

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 2248/4885TYK2 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.