SCHEMBL82584

SCHEMBL82584

COc1c(OCCCC(=O)O)ccc2c1N=C(C=C(O)c1cccnc1)N1CCN=C21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.37
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL82583 1.00 TBXAS1 (0.37) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29475066 1.00 TBXAS1 (0.37) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL83472 0.99 TBXAS1 (0.36) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL83473 0.99 TBXAS1 (0.36) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15119595 0.95 TBXAS1 (0.33) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL80825 0.94 TBXAS1 (0.39) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL80824 0.94 TBXAS1 (0.39) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL82967 0.91 CYP1A1 (0.35) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL82968 0.91 CYP1A1 (0.35) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29475036 0.91 CYP1A1 (0.35) TBXAS1CYP1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US claimed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US claimed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP claimed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 US claimed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 EP claimed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 WO claimed
CN-109729716-B PI3K inhibitor combination 拜耳制药股份公司 2022-03-15 CN disclosed
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist BAYER CONSUMER CARE AG (CH) 2021-11-30 US disclosed
EP-3843743-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES Bayer AS (NO) 2021-07-07 EP disclosed
US-20210187134-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES BAYER AS (NO) 2021-06-24 US disclosed
US-10925880-B2 Combination of PI3K-inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-02-23 US disclosed
WO-2020164997-A1 COMBINATION OF PI3K-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2020-08-20 WO disclosed
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST BAYER CONSUMER CARE AG (CH) 2020-07-16 US disclosed
EP-2168582-A1 Combinations of substituted 2,3-dihydroimidazo[1,2-c]quinazolines Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
EP-2168583-A1 Use of substituted 2,3-dihydroimidazo[1,2-c]quinazolines for the treatment of myeloma Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 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 (6 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-20210187134-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES PIK3CA, PIK3CD, PIK3CB TBXAS1 2823/4885CYP1A1 4085/4885CYP1A2 3957/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 TBXAS1 1766/4885CYP1A1 1868/4885CYP1A2 1885/4885
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 TBXAS1 473/4885CYP1A1 2686/4885CYP1A2 2904/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG TBXAS1 321/4885CYP1A1 3065/4885CYP1A2 3496/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 TBXAS1 4343/4885CYP1A1 2522/4885CYP1A2 2567/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA TBXAS1 1558/4885CYP1A1 2533/4885CYP1A2 2087/4885

“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.