SCHEMBL1633848

SCHEMBL1633848

O=S(=O)(c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.60
JAK1 P23458 3/20 0.60
TYK2 P29597 3/20 0.60
JAK3 P52333 3/20 0.60
TNIK Q9UKE5 1/20 0.49
IGF1R P08069 1/20 0.47
MERTK Q12866 4/20 0.47
AXL P30530 3/20 0.47
TYRO3 Q06418 3/20 0.47
IKBKB O14920 7/20 0.46
CDK2 P24941 3/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK9 P50750 1/20 0.44
CCNA1 P78396 1/20 0.44
CHUK O15111 6/20 0.42
CCNE1 P24864 2/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 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
SCHEMBL1633493 0.92 JAK2 (0.58) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633850 0.90 JAK2 (0.65) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633858 0.87 JAK2 (0.49) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634409 0.87 JAK2 (0.65) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632734 0.86 IGF1R (0.46) JAK2JAK1TYK2JAK3IGF1R
SCHEMBL1632132 0.86 IGF1R (0.46) JAK2JAK1TYK2JAK3IGF1R
SCHEMBL1632510 0.86 IGF1R (0.51) JAK2JAK1TYK2JAK3IGF1R
SCHEMBL1632738 0.84 JAK2 (0.59) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633545 0.84 JAK2 (0.65) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634261 0.83 JAK2 (0.62) JAK2JAK1TYK2JAK3TNIK

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.