SCHEMBL1592841

SCHEMBL1592841

Nc1cnc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.45
MAPK1 P28482 3/20 0.45
MAPK6 Q16659 3/20 0.45
MAPKAPK3 Q16644 2/20 0.45
MAPKAPK2 P49137 1/20 0.45
KIF11 P52732 1/20 0.42
MAPKAPK5 Q8IW41 1/20 0.41
TRPA1 O75762 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
KIT P10721 1/20 0.38
PTGS1 P23219 1/20 0.38
CLK1 P49759 1/20 0.38

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 0.84 KIT (0.49) MAP2K4MAPK1MAPK6TRPA1SMN1; SMN2
SCHEMBL1593665 0.81 MKNK1 (0.42) MAP2K4CCNT1CCNA2CDK2CDK9
SCHEMBL1592857 0.80 ALDH1A1 (0.46) MAP2K4KDM4ERAB9ASMN1; SMN2CDK2
SCHEMBL1593076 0.78 TRPA1 (0.45) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL29930500 0.77 DYRK1A (0.47) MAPK1MAPK6KDM4ERAB9ACDK2
SCHEMBL1592725 0.76 CLK1 (0.37) MAP2K4MAPK1MKNK1KITCLK1
SCHEMBL1496226 0.75 GRM4 (0.33) TRPA1LRRK2
SCHEMBL1593552 0.74 ADORA2A (0.46) MAP2K4MAPK1CCNT1CCNA2CDK2
SCHEMBL1765772 0.73 KIF11 (0.47) KIF11KDM4ESMN1; SMN2MKNK1MKNK2
SCHEMBL28667563 0.71 MAP4K1 (0.70) MAPKAPK2

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 MAP2K4 42/4885MAPK1 35/4885MAPK6 136/4885

“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.