SCHEMBL1593369

SCHEMBL1593369

Nc1cnc2[nH]nc(-c3cccc(CN4CCOCC4)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.52
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
NCF1 P14598 1/20 0.46
JAK2 O60674 1/20 0.45
USP7 Q93009 1/20 0.45
PLK4 O00444 4/20 0.45
PSMB8 P28062 1/20 0.44
CHEK1 O14757 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PIK3CD O00329 1/20 0.43
MTOR P42345 1/20 0.43
CYP11B1 P15538 1/20 0.43
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
PARP1 P09874 1/20 0.43
AURKB Q96GD4 1/20 0.42
CSF1R P07333 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
SCHEMBL1592858 0.89 CNR2 (0.46) CNR1CNR2CHEK1KDRPARP1
SCHEMBL14988278 0.76 NCF1 (0.53) LRRK2CNR1CNR2NCF1USP7
SCHEMBL1593689 0.75 AURKA (0.41) PARP1AURKB
SCHEMBL24149264 0.74 LRRK2 (0.58) LRRK2CNR1CNR2NCF1JAK2
SCHEMBL13572695 0.72 CHEK1 (0.61) LRRK2CNR1CNR2JAK2CHEK1
SCHEMBL1592857 0.72 ALDH1A1 (0.46) AURKBCSF1R
SCHEMBL1592922 0.71 NUDT1 (0.47) JAK2
SCHEMBL1593552 0.71 ADORA2A (0.46)
SCHEMBL15186334 0.71 LRRK2 (0.52) LRRK2CNR1CNR2NCF1PSMB8
SCHEMBL264786 0.70 NCF1 (0.71) NCF1PSMB8

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 5 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
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO 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 LRRK2 1186/4885CNR1 3221/4885CNR2 3546/4885

“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.