Sugi Predict

Sugi Predict / Compounds / SCHEMBL81415

SCHEMBL81415

SCHEMBL81415

O=C(NC1=Nc2cc(C(F)(F)F)ccc2C2=NCCN12)c1ccc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 3/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ GPR6 P46095 1/20 0.34

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
SCHEMBL82716 0.88 POLB (0.37) MAPTNPC1POLBHTTF2
SCHEMBL81401 0.88 LMNA (0.38) NPC1POLBHTTF2TDP1
SCHEMBL83367 0.88 NPC1 (0.43) NPC1POLBHTTF2TDP1
SCHEMBL82211 0.85 NPC1 (0.46) MAPTNPC1POLBHTTF2
SCHEMBL86899 0.84 HDAC3 (0.45) MAPTNPC1POLBHTTF2
SCHEMBL86521 0.83 POLB (0.47) MAPTNPC1POLBHTTF2
SCHEMBL86867 0.83 POLB (0.38) MAPTNPC1POLBHTTF2
SCHEMBL82582 0.83 NPC1 (0.40) MAPTNPC1RAF1BRAFPOLB
SCHEMBL86832 0.82 POLB (0.42) MAPTNPC1POLBHTTF2
SCHEMBL86813 0.82 TDP1 (0.44) MAPTNPC1POLBHTTF2

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 57 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-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 MAPT 844/4885NPC1 1925/4885RAF1 784/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 MAPT 557/4885NPC1 1214/4885RAF1 388/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG MAPT 1939/4885NPC1 3989/4885RAF1 986/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 MAPT 4487/4885NPC1 1109/4885RAF1 200/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA MAPT 799/4885NPC1 1320/4885RAF1 387/4885

“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.