SCHEMBL1593689

SCHEMBL1593689

CN(C)Cc1cccc(-c2n[nH]c3ncc(N)cc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.41
AURKB Q96GD4 2/20 0.41
INCENP Q9NQS7 2/20 0.41
TPX2 Q9ULW0 2/20 0.41
SLC2A1 P11166 1/20 0.41
CHUK O15111 1/20 0.39
INSR P06213 1/20 0.39
MAPK8 P45983 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
CLK2 P49760 4/20 0.39
CLK3 P49761 4/20 0.39
DYRK1A Q13627 4/20 0.39
HTR7 P34969 1/20 0.38
MAP2K4 P45985 1/20 0.38
PARP1 P09874 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
NOS1 P29475 2/20 0.37

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
SCHEMBL1593318 0.79 NTRK1 (0.46) AURKBCLK2CLK3DYRK1AFGFR2
SCHEMBL1592857 0.77 ALDH1A1 (0.46) AURKAAURKBCLK2DYRK1AMAP2K4
SCHEMBL1592858 0.77 CNR2 (0.46) CLK2CLK3DYRK1APARP1
SCHEMBL1592922 0.77 NUDT1 (0.47) AURKAHTR7
SCHEMBL1593552 0.77 ADORA2A (0.46) AURKAHTR7MAP2K4
SCHEMBL29930966 0.76 KIT (0.50) DYRK1A
SCHEMBL1593369 0.75 LRRK2 (0.52) AURKBPARP1
SCHEMBL1592772 0.72 NTRK1 (0.43)
SCHEMBL6788062 0.72 POLB (0.57) PARP1
Hydrochloric Acid SCHEMBL6792286 0.71 POLB (0.56) PARP1

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 AURKA 887/4885AURKB 546/4885INCENP 4261/4885

“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.