SCHEMBL13711468

SCHEMBL13711468

O=C(Nc1cccc(NC(=O)c2cc3cnc4[nH]ncc4c3s2)c1)c1cccc(CF)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.45
JAK2 O60674 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT3 Q9NTG7 2/20 0.41
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 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
SCHEMBL13711478 0.90 BRAF (0.44) BRAFJAK2NPC1RAB9A
SCHEMBL13711494 0.87 MAP3K20 (0.42) BRAFJAK2NPC1RAB9AMAP4K4
SCHEMBL13708180 0.85 KCNK3 (0.52) RAB9AMAPTFLT3
SCHEMBL13711491 0.84 MAP3K20 (0.42) BRAFJAK2NPC1RAB9AMAP4K4
SCHEMBL13711543 0.79 MAP3K20 (0.44) BRAFNPC1RAB9ADYRK3ROCK2
SCHEMBL13711496 0.78 PIKFYVE (0.43) BRAF
SCHEMBL13711477 0.76 BRAF (0.46) BRAF
SCHEMBL13708182 0.76 CSF1R (0.59) BRAF
SCHEMBL13711504 0.74 MAPT (0.47) DYRK3ROCK2MAP4K4RPS6KB1CLK2
SCHEMBL13708162 0.73 ESR1 (0.52) BRAFRAB9AMAPT

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 BRAF 102/4885JAK2 129/4885NPC1 3549/4885

“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.