Sugi Predict

Sugi Predict / Compounds / SCHEMBL82051

SCHEMBL82051

SCHEMBL82051

O/C(=C\C1=Nc2cc(N3CCOCC3)ccc2C2=NCCN12)c1cncc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 2/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ FYN P06241 1/20 0.32
▸ PRKDC P78527 3/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ LGMN Q99538 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ PLOD2 O00469 1/20 0.32
▸ PLOD3 O60568 1/20 0.32
▸ PLOD1 Q02809 1/20 0.32
▸ AR P10275 1/20 0.31
▸ MAPT P10636 4/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31

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
SCHEMBL29475029 1.00 RPS6KA3 (0.35) RPS6KA3RPS6KA2RPS6KA1FYNPRKDC
SCHEMBL82052 1.00 RPS6KA3 (0.35) RPS6KA3RPS6KA2RPS6KA1FYNPRKDC
SCHEMBL86669 0.87 PLOD2 (0.43) RPS6KA3RPS6KA2RPS6KA1PRKDCPIK3CD
SCHEMBL87428 0.81 SMN1; SMN2 (0.42) PLOD2PLOD3PLOD1MAPTSMN1; SMN2
SCHEMBL29475048 0.78 PIK3CA (0.37) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL82608 0.78 PIK3CA (0.37) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL82609 0.78 PIK3CA (0.37) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL81686 0.78 MTOR (0.37) PIK3CAMAPTSMN1; SMN2RAB9AHPGD
SCHEMBL81685 0.78 MTOR (0.37) PIK3CAMAPTSMN1; SMN2RAB9AHPGD
SCHEMBL14041032 0.77 PLOD2 (0.43) RPS6KA3RPS6KA2RPS6KA1PIK3CDPIK3CA

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 61 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
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-3645005-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST Bayer Consumer Care AG (CH) 2020-05-06 — — EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US 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
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 (5 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 RPS6KA3 277/4885RPS6KA2 343/4885RPS6KA1 301/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 RPS6KA3 588/4885RPS6KA2 1085/4885RPS6KA1 879/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG RPS6KA3 607/4885RPS6KA2 1106/4885RPS6KA1 970/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 RPS6KA3 1672/4885RPS6KA2 1821/4885RPS6KA1 1728/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA RPS6KA3 871/4885RPS6KA2 1213/4885RPS6KA1 1123/4885

“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.