SCHEMBL81685

SCHEMBL81685

CC(=O)Nc1ccc(/C(O)=C/C2=Nc3cc(N4CCOCC4)ccc3C3=NCCN23)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.37
PIK3CA P42336 2/20 0.37
PIK3R1 P27986 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MOK Q9UQ07 2/20 0.36
F10 P00742 2/20 0.36
MAPT P10636 4/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
RXRA P19793 1/20 0.34
ATM Q13315 1/20 0.34
AKT1 P31749 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL81686 1.00 MTOR (0.37) MTORPIK3CAPIK3R1MEN1KMT2A
SCHEMBL86751 0.91 F10 (0.39) F10RXRA
SCHEMBL86448 0.87 HIF1A (0.42) MOKF10MAPTSMN1; SMN2
SCHEMBL86742 0.87 ABL1 (0.36) MAPTHPGDSMN1; SMN2
SCHEMBL29475080 0.86 MAPT (0.43) MTORPIK3CAPIK3R1MEN1KMT2A
SCHEMBL82129 0.86 MAPT (0.43) MTORPIK3CAPIK3R1MEN1KMT2A
Hydrochloric Acid SCHEMBL83164 0.85 MAPT (0.42) MTORPIK3CAPIK3R1MEN1KMT2A
SCHEMBL87151 0.83 PIK3CB (0.38) F10RAB9A
SCHEMBL86413 0.81 MET (0.36) PIK3CAKMT2AF10MAPTATM
SCHEMBL86669 0.80 PLOD2 (0.43) PIK3CAMEN1KMT2AMAPTJAK2

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 48 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-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
US-10383877-B2 Use of substituted 2, 3-dihydroimidazo[1,2-c]quinazolines for the treatment of myeloma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-08-20 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US 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
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
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 (8 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 MTOR 50/4885PIK3CA 1/4885PIK3R1 11/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 MTOR 7/4885PIK3CA 2/4885PIK3R1 15/4885
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 MTOR 37/4885PIK3CA 1/4885PIK3R1 8/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG MTOR 44/4885PIK3CA 1/4885PIK3R1 6/4885
US-10383877-B2 Use of substituted 2, 3-dihydroimidazo[1,2-c]quinazolines for the treatment of myeloma MCL1, BCL9, BCL3 MTOR 2079/4885PIK3CA 435/4885PIK3R1 1595/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 MTOR 24/4885PIK3CA 33/4885PIK3R1 11/4885
US-20190255063-A1 COMBINATION OF PI3K-INHIBITORS BCL9L, BCL9, MALT1 MTOR 24/4885PIK3CA 33/4885PIK3R1 11/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA MTOR 13/4885PIK3CA 3/4885PIK3R1 19/4885

“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.