SCHEMBL3081642

SCHEMBL3081642

C[C@H]1COCCN1c1cc(N)nc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.54
PIK3CA P42336 13/20 0.54
PIK3R1 P27986 5/20 0.54
PIK3CG P48736 2/20 0.50
AKT1 P31749 1/20 0.50
RICTOR Q6R327 1/20 0.50
RPTOR Q8N122 1/20 0.50
MAPKAP1 Q9BPZ7 1/20 0.50
MLST8 Q9BVC4 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.49
CHEK1 O14757 1/20 0.49
ATR Q13535 1/20 0.49
PDCD1 Q15116 1/20 0.49
ATRIP Q8WXE1 1/20 0.49
CD274 Q9NZQ7 1/20 0.49

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
SCHEMBL20798067 0.84 PDCD1 (0.53) MTORPIK3CACHEK1ATRPDCD1
SCHEMBL20651554 0.84 PDCD1 (0.53) MTORPIK3CACHEK1ATRPDCD1
SCHEMBL20651590 0.83 ATR (0.69) MTORPIK3CAPIK3R1CHEK1ATR
SCHEMBL20651543 0.83 ATR (0.69) PIK3CACHEK1ATRPDCD1ATRIP
SCHEMBL20651740 0.83 ATR (0.69) PIK3CACHEK1ATRPDCD1ATRIP
SCHEMBL15805547 0.82 MTOR (0.52) MTORPIK3CAPIK3CDCHEK1ATR
SCHEMBL20692991 0.82 MTOR (0.52) MTORPIK3CAPIK3CDCHEK1ATR
SCHEMBL15805551 0.82 MTOR (0.52) MTORPIK3CAPIK3CDCHEK1ATR
SCHEMBL15805506 0.82 MTOR (0.52) MTORPIK3CAPIK3CDCHEK1ATR
SCHEMBL15805552 0.82 MTOR (0.52) MTORPIK3CAPIK3CDCHEK1ATR

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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885PIK3R1 34/4885

“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.