SCHEMBL13711491

SCHEMBL13711491

O=C(Nc1cccc(CF)c1)c1cccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 4/20 0.42
BRAF P15056 2/20 0.42
MAPK14 Q16539 1/20 0.42
EGFR P00533 1/20 0.42
SENP5 Q96HI0 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
SIRT3 Q9NTG7 2/20 0.39
BTK Q06187 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AURKA O14965 2/20 0.38
NFATC1 O95644 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
SCHEMBL13711494 0.96 MAP3K20 (0.42) MAP3K20BRAFMAPK14EGFRSENP5
SCHEMBL13711477 0.90 BRAF (0.46) MAP3K20BRAFMAPK14EGFR
SCHEMBL13711504 0.89 MAPT (0.47) MAP3K20MAPK14SIRT2SIRT1SIRT3
SCHEMBL13711496 0.88 PIKFYVE (0.43) MAP3K20BRAFEGFR
SCHEMBL13711543 0.87 MAP3K20 (0.44) MAP3K20BRAFMAPK14EGFRKDM4E
SCHEMBL13708151 0.85 MAPT (0.52) BRAFEGFRBTKKDM4EMAPT
SCHEMBL13708162 0.84 ESR1 (0.52) BRAFBTKMAPTRAB9ARXFP1
SCHEMBL13711468 0.84 BRAF (0.45) BRAFSENP5SENP2SENP1SIRT2
SCHEMBL4463894 0.81 MAPT (0.58) EGFRKDM4EMAPTNPC1RAB9A
SCHEMBL13711502 0.79 BRAF (0.43) MAP3K20BRAFMAPK14EGFRSIRT2

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
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK MAP3K20 43/4885BRAF 102/4885MAPK14 442/4885

“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.