Sugi Predict

Sugi Predict / Compounds / SCHEMBL81215

SCHEMBL81215

SCHEMBL81215

COc1cc2c(cc1OC)C1=NCCN1C(C=C(O)c1sc(C)nc1C)=N2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPT P10636 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ HDAC8 Q9BY41 2/20 0.33
▸ PTAFR P25105 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 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
SCHEMBL86416 1.00 ALDH1A1 (0.34) ALDH1A1MAPTGAACRHBPCRHR2
SCHEMBL81214 1.00 ALDH1A1 (0.34) ALDH1A1MAPTGAACRHBPCRHR2
SCHEMBL29475072 1.00 ALDH1A1 (0.34) ALDH1A1MAPTGAACRHBPCRHR2
SCHEMBL86772 0.82 GAA (0.39) ALDH1A1MAPTGAACRHBPCRHR2
SCHEMBL86502 0.80 PTAFR (0.43) ALDH1A1MAPTGAAHDAC8PTAFR
SCHEMBL15119791 0.78 SLC6A2 (0.39) ALDH1A1MAPTHDAC8PTAFRMEN1
SCHEMBL86404 0.77 HDAC8 (0.35) ALDH1A1MAPTGAAHDAC8PTAFR
SCHEMBL86811 0.77 PTAFR (0.38) ALDH1A1MAPTGAAHDAC8PTAFR
SCHEMBL86504 0.75 MAPK10 (0.37) ALDH1A1MAPTHDAC8PTAFRMEN1
SCHEMBL29475063 0.75 POLB (0.38) ALDH1A1MAPTPTAFRKDM4EHPGD

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 44 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
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
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-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
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 — — EP 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 ALDH1A1 4419/4885MAPT 844/4885GAA 522/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 ALDH1A1 3255/4885MAPT 557/4885GAA 3322/4885
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 ALDH1A1 4300/4885MAPT 2333/4885GAA 1455/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG ALDH1A1 4097/4885MAPT 1939/4885GAA 1252/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 ALDH1A1 4001/4885MAPT 4487/4885GAA 3097/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA ALDH1A1 3560/4885MAPT 799/4885GAA 3365/4885

“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.