SCHEMBL3085358

SCHEMBL3085358

C[C@H]1COCCN1c1cc(CO)nc(-c2ccc3[nH]ccc3c2)n1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.77
PIK3CA P42336 7/20 0.77
ATR Q13535 11/20 0.55
CYP2C9 P11712 1/20 0.55
ATRIP Q8WXE1 3/20 0.55
PIK3CD O00329 3/20 0.52
PDCD1 Q15116 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
SCHEMBL3095364 0.90 PIK3CA (0.73) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL3083758 0.87 PIK3CA (1.00) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL3095615 0.87 PIK3CA (1.00) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL3076035 0.86 PIK3CA (0.85) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL3081702 0.85 PIK3CA (0.79) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL3085368 0.85 PIK3CA (0.82) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL3093050 0.83 MTOR (0.67) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL1271787 0.83 MTOR (0.73) MTORPIK3CAATRCYP2C9
SCHEMBL27812275 0.83 MTOR (0.67) MTORPIK3CAATRCYP2C9ATRIP
SCHEMBL3093087 0.83 PIK3CA (0.80) MTORPIK3CAATRCYP2C9ATRIP

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 5 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
CN-101801963-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 CN disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885ATR 706/4885

“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.