SCHEMBL1593552

SCHEMBL1593552

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
HTR7 P34969 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AURKA O14965 1/20 0.42
PIM1 P11309 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
CDK2 P24941 2/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK9 P50750 1/20 0.41
IDO1 P14902 1/20 0.41
FYN P06241 1/20 0.41
MAP2K4 P45985 3/20 0.40
MAP4K4 O95819 3/20 0.40
TDO2 P48775 1/20 0.39
CDC7 O00311 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL1592725 0.85 CLK1 (0.37) ADORA2AMAPK1HTTMKNK1MAP2K4
SCHEMBL1592860 0.84 KIT (0.49) ADORA2AMAPK1CDK2CCNT1CCNA2
SCHEMBL1592857 0.83 ALDH1A1 (0.46) AURKAPIM1CDK2IDO1MAP2K4
SCHEMBL1592922 0.83 NUDT1 (0.47) ADORA2AHTR7AURKAIDO1MAP4K4
SCHEMBL1593076 0.81 TRPA1 (0.45) AURKAPIM1MAPK1IDO1MAP2K4
SCHEMBL29930966 0.80 KIT (0.50) ADORA2AMAP4K4TDO2CLK4
SCHEMBL1591705 0.78 PIM1 (0.38) PIM1MAPK1CDK2GSK3BCLK4
SCHEMBL20451776 0.77 CLK2 (0.65)
SCHEMBL1593689 0.77 AURKA (0.41) HTR7AURKAMAP2K4
SCHEMBL14516332 0.77 AURKA (0.59) ADORA2AHTR7TAAR1AURKACDK2

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 ADORA2A 3825/4885HTR7 4322/4885TAAR1 2782/4885

“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.