SCHEMBL1633229

SCHEMBL1633229

c1cc(CN2CCOCC2)cc(Nc2ncc3cccc(-c4ccc(NCCN5CCCC5)nc4)c3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.49
NUAK1 O60285 3/20 0.48
SIK2 Q9H0K1 2/20 0.48
BMPR1B O00238 1/20 0.48
ACVR1 Q04771 1/20 0.48
CDK1 P06493 1/20 0.48
KDR P35968 1/20 0.48
JAK3 P52333 4/20 0.46
JAK2 O60674 3/20 0.46
CSF1R P07333 2/20 0.46
TYK2 P29597 2/20 0.46
NTRK1 P04629 2/20 0.46
STK16 O75716 1/20 0.46
CSNK2A2 P19784 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
ULK3 Q6PHR2 1/20 0.46
BMP2K Q9NSY1 1/20 0.46
ULK2 Q8IYT8 3/20 0.46
MARK3 P27448 3/20 0.46
MARK4 Q96L34 3/20 0.46

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
SCHEMBL1633505 0.88 MAPK10 (0.48) TBK1KDRJAK3JAK2NTRK1
SCHEMBL1633488 0.85 MAPK10 (0.56) CDK1JAK2NTRK1MAPK10CDK2
SCHEMBL1633630 0.85 MAPK10 (0.45) CDK1MAPK10CDK2CCNA2
SCHEMBL1631565 0.85 MAPK10 (0.48) TBK1KDRJAK2NTRK1MAPK10
SCHEMBL1634890 0.85 MAPK10 (0.47) CDK1KDRJAK2MAPK10
SCHEMBL1633364 0.84 KDR (0.45) CDK1KDRCSNK2A2MAPK10CDK2
SCHEMBL1633913 0.84 JAK3 (0.48) CDK1KDRJAK3JAK2CSF1R
SCHEMBL1634161 0.84 FGFR2 (0.42) TBK1KDRJAK3JAK2MELK
SCHEMBL1632887 0.83 MAPK10 (0.48) TBK1MAPK10
SCHEMBL1632057 0.82 GBA1 (0.45) KDRJAK3JAK2TYK2MAPK10

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 TBK1 539/4885NUAK1 358/4885SIK2 70/4885

“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.