SCHEMBL3259305

SCHEMBL3259305

Cn1cc(-c2nnc(N)s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 1/20 0.49
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
KDM4E B2RXH2 11/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
MGAM O43451 3/20 0.45
GAA P10253 3/20 0.45
SI P14410 3/20 0.45
MGAM2 Q2M2H8 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL26766253 0.80 IRAK1 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3261301 0.79 PTGS1 (0.45) ALDH1A1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3257666 0.79 KDR (0.40) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3261499 0.78 PIK3CA (0.50) ALDH1A1SMN1; SMN2LMNAPIK3CDPIK3CA
SCHEMBL15876606 0.78 KDM4E (0.55) ALDH1A1SMN1; SMN2LMNAPIK3CDPIK3CA
SCHEMBL24956353 0.76 AAK1 (0.36) SMN1; SMN2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15877035 0.76 KDM4E (0.51) ALDH1A1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25408417 0.75 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL14227563 0.70 C1S (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL26765998 0.69 FLT3 (0.38) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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 6 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
US-20090156594-A1 HETEROCYCLIC KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-06-18 US 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
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 ALDH1A1 4524/4885SMN1; SMN2 1691/4885LMNA 3861/4885

“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.