SCHEMBL1593076

SCHEMBL1593076

Nc1cnc2[nH]nc(-c3ccc(F)c(F)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.45
IDO1 P14902 1/20 0.40
RPS6KB1 P23443 2/20 0.39
NOTUM Q6P988 1/20 0.37
DYRK1A Q13627 3/20 0.37
MAPK1 P28482 2/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
TGFBR1 P36897 1/20 0.36
CLK2 P49760 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL1592860 0.85 KIT (0.49) TRPA1RPS6KB1DYRK1AMAPK1MAP2K4
SCHEMBL1593665 0.82 MKNK1 (0.42) MAP2K4MAP4K4FGFR1KIT
SCHEMBL1593552 0.81 ADORA2A (0.46) IDO1MAPK1MAP2K4AURKAMAP4K4
SCHEMBL1592725 0.80 CLK1 (0.37) NOTUMDYRK1AMAPK1MAP2K4MAP4K4
SCHEMBL1592857 0.78 ALDH1A1 (0.46) IDO1DYRK1AMAP2K4CLK2AURKA
SCHEMBL1592841 0.78 MAP2K4 (0.45) TRPA1DYRK1AMAPK1MAP2K4MAPKAPK2
SCHEMBL1592922 0.78 NUDT1 (0.47) IDO1AURKAJAK2MAP4K4IKBKE
SCHEMBL1591705 0.76 PIM1 (0.38) DYRK1AMAPK1TGFBR1CLK2PIM1
SCHEMBL12193576 0.76 TRPA1 (0.54) TRPA1IDO1NOTUMDYRK1AMAPK1
SCHEMBL29930500 0.75 DYRK1A (0.47) DYRK1AMAPK1MAPK6GSK3AGSK3B

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 TRPA1 4664/4885IDO1 3410/4885RPS6KB1 266/4885

“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.