Sugi Predict

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SCHEMBL82158

SCHEMBL82158

COc1ccc2c(c1OC)N=C(C=C(O)c1cccnc1)N1CCN=C21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP1B1 Q16678 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ POLB P06746 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3C2A O00443 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PDGFRB P09619 1/20 0.35

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
SCHEMBL29475061 1.00 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL82157 1.00 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL86657 1.00 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL86383 0.92 CYP1A1 (0.32) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL86675 0.92 KMT2A (0.33) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL82253 0.91 KDM4E (0.32) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL86380 0.91 KDM4E (0.32) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL82254 0.91 KDM4E (0.32) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL28374191 0.91 POLB (0.36) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL12533373 0.91 TDP1 (0.34) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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 49 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
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
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 CYP1A1 4085/4885CYP1A2 3957/4885CYP1B1 3041/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 CYP1A1 1868/4885CYP1A2 1885/4885CYP1B1 1606/4885
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 CYP1A1 2686/4885CYP1A2 2904/4885CYP1B1 2777/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG CYP1A1 3065/4885CYP1A2 3496/4885CYP1B1 3446/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 CYP1A1 2522/4885CYP1A2 2567/4885CYP1B1 1299/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA CYP1A1 2533/4885CYP1A2 2087/4885CYP1B1 1688/4885

“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.