SCHEMBL2927744

SCHEMBL2927744

COc1cc(N(CCCN(C)C)C(=O)C(F)(F)F)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.39
EGFR P00533 2/20 0.37
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
ROCK2 O75116 2/20 0.35
TTK P33981 3/20 0.34
F3 P13726 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK3 P27361 1/20 0.33
ALDH1A1 P00352 2/20 0.33
FGFR1 P11362 1/20 0.33
TP53 P04637 1/20 0.33
FYN P06241 1/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2931067 0.90 BRAF (0.39) BRAFEGFRMAPTPOLBTTK
Trifluoroacetic Acid SCHEMBL2927742 0.82 IGF1R (0.46) MAPTPOLBALDH1A1TP53FYN
SCHEMBL2960852 0.82 BRAF (0.37) BRAFPOLBTTKCCNA2CDK2
SCHEMBL2932561 0.80 FYN (0.48) MAPTPOLBTTKCCNA2CDK2
SCHEMBL2930885 0.79 TTK (0.45) BRAFEGFRPOLBROCK2TTK
SCHEMBL2927146 0.79 BRAF (0.37) BRAFEGFRMAPTTTKCCNA2
SCHEMBL2933030 0.77 BRAF (0.46) BRAFEGFRROCK2FYN
SCHEMBL2932841 0.76 PIM3 (0.48) BRAFMAPTTTKCCNA2CDK2
Trifluoroacetic Acid SCHEMBL2931064 0.75 TMEM97 (0.41) MAPTALDH1A1TP53HPGDHSD17B10
SCHEMBL2933652 0.74 BRAF (0.47) BRAFEGFRFYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 BRAF 524/4885EGFR 1912/4885MAPT 1652/4885

“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.