SCHEMBL738701

SCHEMBL738701

C[C@H]1COCCN1c1cc(CSCCCO)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 8/20 0.41
PIK3CA P42336 10/20 0.40
MTOR P42345 6/20 0.40
PIK3CD O00329 4/20 0.39
PIK3R1 P27986 1/20 0.38
ATRIP Q8WXE1 6/20 0.38
PDE4D Q08499 3/20 0.37
CHEK1 O14757 2/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36

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
SCHEMBL4195899 0.85 ATR (0.40) ATRPIK3CAMTORPIK3CDPIK3R1
SCHEMBL9979218 0.83 ATR (0.46) ATRPIK3CAMTORPIK3CDPIK3R1
SCHEMBL9979222 0.83 ATR (0.46) ATRPIK3CAMTORPIK3CDPIK3R1
SCHEMBL4202294 0.83 ABL1 (0.42) ATRPIK3CAMTORPIK3CDATRIP
SCHEMBL4209567 0.83 PIK3CA (0.41) ATRPIK3CAMTORPIK3CDATRIP
SCHEMBL4350220 0.83 PIK3CA (0.41) ATRPIK3CAMTORPIK3CDATRIP
SCHEMBL738609 0.83 PIK3CA (0.47) ATRPIK3CAMTORPIK3CDPIK3R1
SCHEMBL9979390 0.83 PIK3CA (0.47) ATRPIK3CAMTORPIK3CDPIK3R1
SCHEMBL9979386 0.83 PIK3CA (0.47) ATRPIK3CAMTORPIK3CDPIK3R1
SCHEMBL13283659 0.81 ATR (0.42) ATRPIK3CAMTORPIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP disclosed
US-8139094-B2 Thermal head and thermal printer SONY CORPORATION (JP) 2012-03-20 US disclosed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-8138183-B2 Morpholino pyrimidine derivatives used in diseases linked to mTOR kinase and/or PI3K ASTRAZENECA AB (SE) 2012-03-20 US disclosed
US-8031215-B2 Thermal head, thermal printer and manufacturing method of thermal head SONY CORPORATION (JP) 2011-10-04 US disclosed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2010-09-30 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 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 (2 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 ATR 1185/4885PIK3CA 2/4885MTOR 1/4885
US-20100249131-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K PIK3CA, MTOR, PIK3CD ATR 1100/4885PIK3CA 1/4885MTOR 2/4885

“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.