SCHEMBL3261499

SCHEMBL3261499

CCn1cc(-c2nnc(N)s2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
PI4KA P42356 1/20 0.50
PIK3CG P48736 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
KDM4E B2RXH2 10/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.42
MGAM O43451 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41

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
SCHEMBL3259389 0.81 PTGS1 (0.42) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3259765 0.81 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL3259305 0.78 ALDH1A1 (0.49) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL18520179 0.69 PIK3CD (0.55) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL174144 0.67
SCHEMBL30388104 0.66 LRRK2 (0.55) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL12369737 0.66 LRRK2 (0.55) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL18985713 0.66 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
Hydrochloric Acid SCHEMBL2176659 0.65
SCHEMBL532193 0.65 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG

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
EP-2162132-A1 HETEROCYCLIC KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US disclosed
WO-2008144767-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-11-27 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-20090156594-A1 HETEROCYCLIC KINASE MODULATORS MAP3K20, MAP4K2, MAP3K13 PIK3CA 251/4885PIK3CD 227/4885PIK3CB 198/4885

“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.