SCHEMBL1593318

SCHEMBL1593318

CN(C)CCOc1cccc(-c2n[nH]c3ncc(N)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PKN2 Q16513 1/20 0.42
PIM3 Q86V86 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
AURKB Q96GD4 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
STK17A Q9UEE5 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
TNK2 Q07912 1/20 0.41

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
SCHEMBL1592772 0.87 NTRK1 (0.43) NTRK1ADORA2AADORA1TGFBR1KDM4E
SCHEMBL29930966 0.82 KIT (0.50) NTRK1ADORA2AADORA1MAP4K4CLK4
SCHEMBL1593689 0.79 AURKA (0.41) RPS6KB1AURKBTNK2CLK2CLK3
SCHEMBL1496219 0.77 MAPK1 (0.40) NTRK1CHRNB2CHRNA4LMNA
SCHEMBL1593355 0.77 PIK3CG (0.52) FGFR2FGFR3KDM4E
SCHEMBL1593552 0.76 ADORA2A (0.46) ADORA2AMAP4K4PIM1HIPK2CLK4
SCHEMBL1592857 0.73 ALDH1A1 (0.46) NTRK1MAP4K4PIM1CSNK2A1PIM3
SCHEMBL1592922 0.73 NUDT1 (0.47) ADORA2AADORA1MAP4K4
SCHEMBL1593827 0.73 MAPK14 (0.41) CHRNB2FGFR2FGFR3ALDH1A1
SCHEMBL29930500 0.71 DYRK1A (0.47) ADORA2ADYRK1AKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF NTRK1 517/4885CHRNB2 4062/4885CHRNA4 4458/4885

“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.