SCHEMBL1632115

SCHEMBL1632115

CN1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.66
BRD4 O60885 2/20 0.66
FGFR4 P22455 8/20 0.55
CDK4 P11802 4/20 0.54
AURKA O14965 1/20 0.54
JAK3 P52333 3/20 0.54
PTK2 Q05397 3/20 0.54
JAK1 P23458 1/20 0.54
CCND1 P24385 3/20 0.53
CCND2 P30279 3/20 0.53
CCND3 P30281 3/20 0.53
MAP4K1 Q92918 1/20 0.52
FGFR2 P21802 2/20 0.52
CCNB2 O95067 1/20 0.52
CCNE2 O96020 1/20 0.52
CDK1 P06493 1/20 0.52
FGFR1 P11362 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
FGFR3 P22607 1/20 0.52

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
SCHEMBL18376655 0.91 JAK2 (0.67) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL18377076 0.90 JAK2 (0.65) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL1633192 0.89 JAK2 (0.55) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL1632085 0.85 SMG1 (0.62) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL1633935 0.85 MAPK10 (0.62) JAK2BRD4FGFR4CDK1CCNA2
SCHEMBL29575830 0.85 JAK2 (0.66) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL18377046 0.85 BRD4 (0.63) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL28676614 0.83 JAK2 (0.61) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL29846917 0.83 JAK2 (0.70) JAK2BRD4FGFR4CDK4AURKA
SCHEMBL16514362 0.83 JAK2 (0.70) JAK2BRD4FGFR4CDK4AURKA

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 1352/4885BRD4 268/4885FGFR4 2040/4885

“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.