SCHEMBL3596992

SCHEMBL3596992

C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)c2ccncc2)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.50
ATRIP Q8WXE1 9/20 0.50
CHEK1 O14757 8/20 0.50
PDCD1 Q15116 8/20 0.50
CD274 Q9NZQ7 8/20 0.50
PIK3CA P42336 5/20 0.50
PIK3CD O00329 4/20 0.50
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.40

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
SCHEMBL11898377 1.00 ATR (0.50) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3597219 0.91 PIK3CA (0.51) ATRATRIPCHEK1PDCD1CD274
SCHEMBL740079 0.91 PIK3CA (0.53) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3594425 0.89 ATR (0.49) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3590480 0.86 PIK3CA (0.48) ATRATRIPCHEK1PDCD1CD274
SCHEMBL24173907 0.85 PIK3CA (0.63) ATRATRIPCHEK1PDCD1CD274
SCHEMBL11898379 0.85 PIK3CA (0.63) ATRATRIPCHEK1PDCD1CD274
SCHEMBL738503 0.85 PIK3CA (0.63) ATRATRIPCHEK1PDCD1CD274
SCHEMBL3595940 0.84 PIK3CA (0.49) ATRATRIPCHEK1PDCD1CD274
SCHEMBL8219150 0.84 HRH4 (0.44) ATRATRIPPIK3CAPIK3R1MTOR

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
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR ATR 1452/4885ATRIP 4422/4885CHEK1 792/4885

“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.