SCHEMBL1633898

SCHEMBL1633898

CN1CCN(c2ccc(-c3cccc4cnc(Nc5ccc(N6CCOCC6)c(F)c5)nc34)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.56
JAK2 O60674 6/20 0.56
MAPK10 P53779 5/20 0.56
JUN P05412 4/20 0.56
MAPK8 P45983 4/20 0.56
AXL P30530 2/20 0.54
TTK P33981 1/20 0.54
FGFR1 P11362 1/20 0.52
KDR P35968 1/20 0.52
JAK1 P23458 2/20 0.51
JAK3 P52333 2/20 0.51
BRDT Q58F21 2/20 0.51
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
EGFR P00533 1/20 0.50
PAK1 Q13153 1/20 0.50
CSF1R P07333 1/20 0.48
CDK4 P11802 1/20 0.48
CDK6 Q00534 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL1633250 0.91 AXL (0.52) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL29370855 0.88 TTK (0.61) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL18376727 0.88 TTK (0.61) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL18376233 0.82 JAK2 (0.63) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL1633468 0.82 MAPK10 (0.51) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL18377031 0.80 JAK2 (0.55) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL29847439 0.80 MAPK10 (0.79) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL16513631 0.80 MAPK10 (0.79) BRD4JAK2MAPK10JUNMAPK8
SCHEMBL1633913 0.80 JAK3 (0.48) JAK2MAPK10JUNMAPK8FGFR1
SCHEMBL18376659 0.79 BRD4 (0.49) BRD4JAK2MAPK10JUNMAPK8

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 BRD4 268/4885JAK2 1352/4885MAPK10 402/4885

“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.