SCHEMBL3083538

SCHEMBL3083538

NC(=O)Nc1nc(N2CCOCC2)sc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.62
PIK3CB P42338 9/20 0.62
PIK3CA P42336 5/20 0.62
ALDH1A1 P00352 6/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.49
ALOX5 P09917 2/20 0.46
PIN1 Q13526 1/20 0.46
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 4/20 0.41

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
SCHEMBL6015249 0.84 PIK3CD (0.46) PIK3CDPIK3CBPIK3CAALDH1A1GAA
SCHEMBL3328268 0.77 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAALDH1A1GAA
SCHEMBL11973134 0.77 PIK3CD (0.68) PIK3CDPIK3CBPIK3CAALDH1A1GAA
SCHEMBL13074181 0.76 ALDH1A1 (0.46) PIK3CDPIK3CBPIK3CAALDH1A1GAA
SCHEMBL1564559 0.75 CHEK1 (0.50) ALDH1A1HTTLMNA
SCHEMBL723767 0.74 PIK3CD (0.56) PIK3CDPIK3CBPIK3CAALDH1A1GAA
SCHEMBL2340680 0.73 PIK3CD (0.63) PIK3CDPIK3CBPIK3CAALDH1A1GAA
SCHEMBL5076857 0.73 ALDH1A1 (0.65) PIK3CDPIK3CBPIK3CAALDH1A1GAA
SCHEMBL10124766 0.72 PIK3CB (0.56) PIK3CDPIK3CBPIK3CAALDH1A1GAA
Hydrochloric Acid SCHEMBL5010640 0.71 PIK3CD (0.74) PIK3CDPIK3CBPIK3CAALDH1A1GAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA R&D (SE) 2010-09-30 US claimed
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-09-23 US claimed
EP-2167086-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS AstraZeneca AB (SE) 2010-03-31 EP claimed
EP-2164485-A1 COMBINATION OF CHECKPONIT KINASE ( CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-03-24 EP claimed
WO-2008146035-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA AB (SE) 2008-12-04 WO claimed
WO-2008146036-A1 COMBINATION OF CHECKPONIT KINASE ( CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-12-04 WO claimed
JP-2007517843-A 2007-07-05 JP claimed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US claimed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP claimed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 WO claimed
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA R&D (SE) 2010-09-30 US disclosed
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-09-23 US disclosed
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2167086-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS AstraZeneca AB (SE) 2010-03-31 EP disclosed
EP-2164485-A1 COMBINATION OF CHECKPONIT KINASE ( CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-03-24 EP disclosed
WO-2008146035-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS ASTRAZENECA AB (SE) 2008-12-04 WO disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 WO disclosed
US-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 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 (4 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 PIK3CD 306/4885PIK3CB 202/4885PIK3CA 274/4885
US-20100240645-A1 COMBINATION OF CHECKPONIT KINASE (CHK) AND TELANGIECTASIA MUTATED (ATM) INHIBITORS FOR THE TREATMENT OF CANCER CHEK2, ATM, CHEK1 PIK3CD 747/4885PIK3CB 590/4885PIK3CA 341/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 PIK3CD 639/4885PIK3CB 390/4885PIK3CA 590/4885
US-20100249112-A1 COMBINATION OF CHK AND PARP INHIBITORS FOR THE TREATMENT OF CANCERS CHEK1, CHEK2, PARP1 PIK3CD 571/4885PIK3CB 466/4885PIK3CA 339/4885

“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.