SCHEMBL3093017

SCHEMBL3093017

C[C@H]1COCCN1c1cc(CS(=O)(=O)c2ccccc2)nc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.67
ATRIP Q8WXE1 8/20 0.67
CHEK1 O14757 1/20 0.67
PDCD1 Q15116 1/20 0.67
CD274 Q9NZQ7 1/20 0.67
PIK3CA P42336 4/20 0.64
MTOR P42345 4/20 0.64
PRKDC P78527 2/20 0.64
TAF1 P21675 1/20 0.64
PIK3R1 P27986 1/20 0.64
KCNH2 Q12809 1/20 0.64
ATM Q13315 1/20 0.64

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
SCHEMBL3093025 0.86 PIK3CA (0.70) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3093087 0.85 PIK3CA (0.80) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3090335 0.80 ATR (0.77) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3081948 0.80 MTOR (0.61) ATRATRIPCHEK1PDCD1CD274
SCHEMBL7907534 0.80 ATR (0.80) ATRATRIPCHEK1PDCD1CD274
SCHEMBL20651808 0.80 ATR (1.00) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263052 0.79 ATR (0.75) ATRATRIPCHEK1PDCD1CD274
SCHEMBL21263177 0.79 ATR (0.75) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3594878 0.79 PIK3CA (0.61) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3081989 0.79 PIK3CA (0.60) ATRATRIPCHEK1PDCD1CD274

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 9 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 claimed
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP claimed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO claimed
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
EP-2176256-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2010-04-21 EP disclosed
WO-2009007751-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO 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 ATR 706/4885ATRIP 2906/4885CHEK1 135/4885

“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.