SCHEMBL3056403

SCHEMBL3056403

CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)C(F)F)cc2)n1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.77
PIK3CA P42336 11/20 0.77
PIK3CD O00329 3/20 0.74
ATR Q13535 5/20 0.58
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.52
PRKDC P78527 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
SCHEMBL3055469 0.92 MTOR (0.75) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3054199 0.89 MTOR (0.79) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3063906 0.88 MTOR (0.71) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3605023 0.88 MTOR (0.78) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3064691 0.88 MTOR (0.70) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3056369 0.87 MTOR (0.75) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3593328 0.87 MTOR (1.00) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3063856 0.87 MTOR (0.77) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3060382 0.87 PIK3CA (0.80) MTORPIK3CAPIK3CDATRCYP2C9
SCHEMBL3597877 0.87 MTOR (0.77) MTORPIK3CAPIK3CDATRCYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US claimed
EP-2178866-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-28 EP claimed
WO-2009007749-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO claimed
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US disclosed
US-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-10-14 US disclosed
EP-2178866-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-28 EP disclosed
WO-2009007749-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-20100261723-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, TYMP MTOR 1/4885PIK3CA 2/4885PIK3CD 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.