SCHEMBL1302957

SCHEMBL1302957

CCn1nnc(CCNC(=O)Nc2cn3cc(-c4cc(Cl)ccc4OC)ccc3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.42
PIK3CA P42336 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
F11 P03951 3/20 0.40
KLKB1 P03952 3/20 0.40
CNR1 P21554 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
MAPK13 O15264 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR3E A5X5Y0 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
SCHEMBL1302670 0.79 MAP3K5 (0.44) PIK3CAPIK3CDPIK3CBPIK3CGCLK1
SCHEMBL1302835 0.78 MAPK1 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGCLK1
SCHEMBL1302385 0.78 PIK3CG (0.45) LRRK2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1302602 0.77 MAP3K5 (0.51) PIK3CAPIK3CDPIK3CBPIK3CGCLK1
SCHEMBL1303491 0.77 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGCLK1
SCHEMBL1303285 0.76 BRAF (0.43) LRRK2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1302528 0.76 PIK3CA (0.44) LRRK2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1303576 0.76 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGCLK1
SCHEMBL1303089 0.75 CREBBP (0.42) PIK3CAPIK3CDPIK3CBPIK3CGCLK1
SCHEMBL3140620 0.74 PIK3CA (0.63) LRRK2PIK3CAPIK3CDPIK3CBPIK3CG

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-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 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-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB LRRK2 1164/4885PIK3CA 1/4885PIK3CD 9/4885

“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.