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SCHEMBL82120

SCHEMBL82120

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 4/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL82119 1.00 PTAFR (0.33) PTAFRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL29475074 1.00 PTAFR (0.33) PTAFRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL86385 1.00 PTAFR (0.33) PTAFRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL87081 0.93 KDM4E (0.32) PTAFRCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL86783 0.92 CHRNB2 (0.36) PTAFRKDM4EALDH1A1CYP1A1CYP1A2
SCHEMBL86675 0.92 KMT2A (0.33) PTAFRKDM4EALDH1A1CYP1A1CYP1A2
SCHEMBL82254 0.91 KDM4E (0.32) PTAFRKDM4EALDH1A1CYP1A1CYP1A2
SCHEMBL86380 0.91 KDM4E (0.32) PTAFRKDM4EALDH1A1CYP1A1CYP1A2
SCHEMBL82253 0.91 KDM4E (0.32) PTAFRKDM4EALDH1A1CYP1A1CYP1A2
SCHEMBL82158 0.90 CYP1A1 (0.39) PTAFRKDM4EALDH1A1CYP1A1CYP1A2

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 47 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
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
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST BAYER CONSUMER CARE AG (CH) 2020-07-16 — — US disclosed
EP-3645005-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST Bayer Consumer Care AG (CH) 2020-05-06 — — EP disclosed
CN-105934256-B PI3K inhibitor combination 拜耳制药股份公司 2019-12-27 — — CN 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
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 — — EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 — — 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 (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 PTAFR 393/4885CYP11B1 2413/4885CYP11B2 2552/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 PTAFR 1167/4885CYP11B1 97/4885CYP11B2 156/4885
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 PTAFR 119/4885CYP11B1 500/4885CYP11B2 637/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG PTAFR 90/4885CYP11B1 553/4885CYP11B2 1100/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 PTAFR 2320/4885CYP11B1 2149/4885CYP11B2 2556/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA PTAFR 868/4885CYP11B1 130/4885CYP11B2 206/4885

“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.