Sugi Predict

Sugi Predict / Compounds / SCHEMBL82131

SCHEMBL82131

SCHEMBL82131

COc1c(OCCCC(=O)N2CCOCC2)ccc2c1N=C(C=C(O)c1cccnc1)N1CCN=C21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ PIK3CB P42338 3/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL86606 1.00 ALDH1A1 (0.42) ALDH1A1HTTRAB9AKDM4EHPGD
SCHEMBL82130 1.00 ALDH1A1 (0.42) ALDH1A1HTTRAB9AKDM4EHPGD
SCHEMBL29475030 1.00 ALDH1A1 (0.42) ALDH1A1HTTRAB9AKDM4EHPGD
SCHEMBL14041088 0.93 KMT2A (0.37) ALDH1A1HTTRAB9AKDM4EHPGD
SCHEMBL86607 0.92 HTT (0.48) ALDH1A1HTTKDM4EHPGDCYP3A4
SCHEMBL15119595 0.90 TBXAS1 (0.33) ALDH1A1KDM4ECYP1A2CYP3A4POLB
SCHEMBL29475066 0.90 TBXAS1 (0.37) ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL82583 0.90 TBXAS1 (0.37) ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL82584 0.90 TBXAS1 (0.37) ALDH1A1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL83472 0.89 TBXAS1 (0.36) ALDH1A1KDM4ECYP1A2CYP3A4

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 54 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
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 ALDH1A1 4419/4885HTT 3432/4885RAB9A 1545/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 ALDH1A1 3255/4885HTT 3515/4885RAB9A 935/4885
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 ALDH1A1 4300/4885HTT 2034/4885RAB9A 1543/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG ALDH1A1 4097/4885HTT 642/4885RAB9A 1944/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 ALDH1A1 4001/4885HTT 2090/4885RAB9A 1636/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA ALDH1A1 3560/4885HTT 3376/4885RAB9A 793/4885

“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.