SCHEMBL82582

SCHEMBL82582

O=C(NC1=Nc2c(cccc2C(F)(F)F)C2=NCCN12)c1ccc2[nH]cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 4/20 0.37
HTT P42858 2/20 0.37
F2 P00734 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SCN9A Q15858 3/20 0.37
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN5A Q14524 1/20 0.35
HDAC3 O15379 2/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 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
SCHEMBL82242 0.89 POLB (0.41) NPC1RAB9AMAPTPOLBHTT
SCHEMBL86826 0.87 NPC1 (0.40) NPC1RAB9APOLBHTTF2
SCHEMBL86593 0.87 POLB (0.39) NPC1RAB9APOLBHTTF2
SCHEMBL6261185 0.87 MAPT (0.35) NPC1RAB9AMAPTPOLBHTT
SCHEMBL86948 0.85 KMT2A (0.43) NPC1RAB9AMAPTPOLBHTT
SCHEMBL81415 0.83 MAPT (0.47) NPC1RAB9AMAPTPOLBHTT
SCHEMBL86899 0.79 HDAC3 (0.45) NPC1RAB9AMAPTPOLBHTT
SCHEMBL82578 0.79 KDM4E (0.42) NPC1RAB9AMAPTPOLBHTT
SCHEMBL87263 0.79 KMT2A (0.42) NPC1RAB9AMAPTPOLBHTT
SCHEMBL82997 0.78 POLB (0.47) NPC1RAB9AMAPTPOLBHTT

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
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
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
WO-2020043617-A1 COMBINATION OF PI3K-INHIBITORS AND TARGETED THORIUM CONJUGATES BAYER AS (NO) 2020-03-05 WO disclosed
US-20190255063-A1 COMBINATION OF PI3K-INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-22 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP 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 (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 NPC1 1925/4885RAB9A 1545/4885MAPT 844/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 NPC1 1214/4885RAB9A 935/4885MAPT 557/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG NPC1 3989/4885RAB9A 1944/4885MAPT 1939/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 NPC1 1109/4885RAB9A 1636/4885MAPT 4487/4885
US-20190255063-A1 COMBINATION OF PI3K-INHIBITORS BCL9L, BCL9, MALT1 NPC1 1109/4885RAB9A 1636/4885MAPT 4487/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA NPC1 1320/4885RAB9A 793/4885MAPT 799/4885

“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.