SCHEMBL3146263

SCHEMBL3146263

O=C(O)Nc1cn2cc(I)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.47
LRRK2 Q5S007 7/20 0.40
MAPK13 O15264 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
APP P05067 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
TGFBR1 P36897 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
SCHEMBL3136496 0.89 MAP3K5 (0.45) MAP3K5LRRK2APPPIK3CAPIK3CG
SCHEMBL3150092 0.86 PIK3CA (0.52) MAP3K5MAPK13BRAFKDRMAPK12
SCHEMBL3150363 0.83 MAP3K5 (0.44) MAP3K5KDRAPPPIK3CAPIK3CG
SCHEMBL24305376 0.82 LRRK2 (0.55) LRRK2KDR
SCHEMBL3137910 0.82 MAP3K5 (0.44) MAP3K5LRRK2PIK3CAPIK3CG
SCHEMBL14247285 0.81 MAP3K5 (0.61) MAP3K5LRRK2MAPK13BRAFKDR
SCHEMBL913680 0.79 PTGS1 (0.58)
SCHEMBL6312547 0.79 MAP3K5 (0.46) MAP3K5
SCHEMBL3145763 0.79 MAP3K5 (0.40) MAP3K5LRRK2APPPIK3CAPIK3CG
SCHEMBL3486104 0.79 MAP3K5 (0.66) MAP3K5

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 3 patents. 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
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB MAP3K5 192/4885LRRK2 903/4885MAPK13 396/4885

“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.