SCHEMBL7571452

SCHEMBL7571452

COc1cccc2c(=O)n(C)c(C)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
KCNH2 Q12809 2/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
CYP19A1 P11511 1/20 0.48
NQO2 P16083 1/20 0.48
TNKS O95271 4/20 0.47
TNKS2 Q9H2K2 4/20 0.47
PARP1 P09874 2/20 0.47

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
SCHEMBL15801415 0.80 ELANE (0.49) HRH3KCNH2KDM4EHSD17B10TNKS
SCHEMBL1161541 0.80 TNF (0.45) HRH3KCNH2CYP1A1CYP1A2CYP1B1
SCHEMBL1161286 0.78 PDE7A (0.43) KDM4EALDH1A1HPGDGAA
SCHEMBL15840330 0.78 HRH3 (0.47) HRH3KCNH2KDM4EPARP1
SCHEMBL7567724 0.78 PARP1 (0.51) CYP1A2KDM4EHSD17B10HTTTNKS
SCHEMBL29110405 0.77 HRH3 (0.61) HRH3KCNH2CYP1A1CYP1A2CYP1B1
SCHEMBL7707554 0.77 TLR8 (0.48) CYP1A2NQO2SMN1; SMN2
SCHEMBL28924721 0.76 HRH3 (0.60) HRH3KCNH2CYP1A1CYP1A2CYP1B1
SCHEMBL15840319 0.76 ELANE (0.43) HRH3KCNH2CYP1A2KDM4EALDH1A1
SCHEMBL15840314 0.75 KCNH2 (0.49) HRH3KCNH2CYP1A2KDM4EALDH1A1

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-3008053-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-03-21 EP disclosed
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 US disclosed
US-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9029384-B2 Phosphatidylinositol 3-kinase inhibitors Gilead Calistoga, LLC. (US) 2015-05-12 US disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 US disclosed
WO-2014201409-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2014-12-18 WO disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 US disclosed
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 US disclosed
EP-0966476-B1 Quinazolinone compounds UNIV NEWCASTLE VENTURES LTD (GB) 2002-09-04 EP disclosed
EP-0966476-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-12-29 EP disclosed
WO-1998033802-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-08-06 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 (3 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-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 HRH3 1844/4885KCNH2 3333/4885CYP1A1 1350/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 HRH3 2292/4885KCNH2 3111/4885CYP1A1 1605/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 HRH3 2292/4885KCNH2 3111/4885CYP1A1 1605/4885

“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.