SCHEMBL3136633

SCHEMBL3136633

O=C(Nc1cn2cc(I)ccc2n1)c1ccc(F)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 14/20 0.52
CLK1 P49759 3/20 0.49
CLK2 P49760 3/20 0.49
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPT P10636 1/20 0.43
RET P07949 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
ITK Q08881 1/20 0.41
MERTK Q12866 1/20 0.41
PRKAA1 Q13131 1/20 0.41
ROCK1 Q13464 1/20 0.41
ABL1 P00519 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL3485455 0.83 CLK1 (0.71) MAP3K5CLK1CLK2RETCDK2
SCHEMBL3486104 0.80 MAP3K5 (0.66) MAP3K5CLK1CLK2RETCDK2
SCHEMBL3485629 0.78 MAP3K5 (0.77) MAP3K5CLK1CLK2RETCDK2
SCHEMBL3486260 0.78 MAP3K5 (0.56) MAP3K5CLK1CLK2RETCDK2
SCHEMBL13498799 0.77 MAP3K5 (0.55) MAP3K5CLK1CLK2RETCDK2
SCHEMBL3486448 0.77 MAP3K5 (0.56) MAP3K5CLK1CLK2MAPTRET
SCHEMBL3486382 0.76 MAP3K5 (0.54) MAP3K5CLK1CLK2RETCDK2
SCHEMBL3136496 0.76 MAP3K5 (0.45) MAP3K5RETCDK2GSK3BITK
SCHEMBL3146108 0.75 PIK3CA (0.72) MAP3K5CLK1CLK2CSNK1DCSNK1E
SCHEMBL3146263 0.75 MAP3K5 (0.47) MAP3K5LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB MAP3K5 192/4885CLK1 750/4885CLK2 620/4885

“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.