Sugi Predict

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SCHEMBL83367

SCHEMBL83367

Cc1ccc2c(c1)N=C(NC(=O)c1ccc3[nH]cnc3c1)N1CCN=C21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 5/20 0.37
▸ HTT P42858 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ CASP3 P42574 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
SCHEMBL86813 0.93 TDP1 (0.44) NPC1RAB9ASMN1; SMN2GAATDP1
SCHEMBL81401 0.89 LMNA (0.38) NPC1RAB9ASMN1; SMN2TDP1KMT2A
SCHEMBL82716 0.89 POLB (0.37) NPC1RAB9ASMN1; SMN2TDP1KMT2A
SCHEMBL82211 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TDP1KMT2A
SCHEMBL81415 0.88 MAPT (0.47) NPC1RAB9ASMN1; SMN2TDP1KMT2A
SCHEMBL86832 0.86 POLB (0.42) NPC1RAB9AGAATDP1KMT2A
SCHEMBL86521 0.85 POLB (0.47) NPC1RAB9ASMN1; SMN2GAATDP1
SCHEMBL86867 0.84 POLB (0.38) NPC1RAB9ASMN1; SMN2GAATDP1
SCHEMBL86899 0.84 HDAC3 (0.45) NPC1RAB9ASMN1; SMN2TDP1KMT2A
SCHEMBL86808 0.84 POLB (0.37) NPC1RAB9ASMN1; SMN2TDP1KMT2A

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 59 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
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
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

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 NPC1 1925/4885RAB9A 1545/4885SMN1; SMN2 4005/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 NPC1 1214/4885RAB9A 935/4885SMN1; SMN2 3325/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG NPC1 3989/4885RAB9A 1944/4885SMN1; SMN2 4165/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 NPC1 1109/4885RAB9A 1636/4885SMN1; SMN2 3481/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA NPC1 1320/4885RAB9A 793/4885SMN1; SMN2 3668/4885

“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.