SCHEMBL7876340

SCHEMBL7876340

Clc1nc(Cl)c2ncn(C3CCN(Cc4ccccc4)CC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.50
MTOR P42345 3/20 0.50
PIK3CG P48736 3/20 0.50
FLT3 P36888 2/20 0.48
DRD2 P14416 8/20 0.48
DRD4 P21917 8/20 0.48
DRD3 P35462 8/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
CDK1 P06493 2/20 0.44
MAPK14 Q16539 1/20 0.43
PDGFRA P16234 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL4440236 0.83 PIK3CA (0.69) PIK3CAMTORPIK3CGFLT3
SCHEMBL786767 0.80 LMNA (0.50)
SCHEMBL30332447 0.80 LMNA (0.50)
SCHEMBL7884075 0.79 PIK3CA (0.47) PIK3CAMTORPIK3CGFLT3DRD2
SCHEMBL30677298 0.78 LMNA (0.44) CDK1
SCHEMBL30677231 0.78 CHKA (0.47)
SCHEMBL786455 0.78 ADORA2A (0.49) FLT3CDK1
SCHEMBL16714635 0.78 ADORA2A (0.49) FLT3
SCHEMBL30332114 0.78 ADORA2A (0.49) FLT3CDK1
SCHEMBL30584024 0.76 ADORA2A (0.50) FLT3CDK1PDGFRA

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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CG 4/4885

“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.