SCHEMBL82552

SCHEMBL82552

CC(=O)Nc1ccc(/C(O)=C/C2=Nc3c(Br)cc(C)cc3C3=NCCN23)cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.33
GRIN2B Q13224 1/20 0.31
HPGD P15428 1/20 0.31
PTK2 Q05397 1/20 0.31
GRM5 P41594 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL82553 1.00 F10 (0.33) F10GRIN2BHPGDPTK2GRM5
SCHEMBL86801 0.89 F10 (0.33) F10GRIN2BHPGDPTK2HDAC8
SCHEMBL86703 0.83 PIK3CB (0.35) F10GRIN2BHPGDPTK2GRM5
SCHEMBL82551 0.82 THRB (0.33) F10RXFP1RAB9ANPC1KDM4E
SCHEMBL82525 0.82 THRB (0.33) F10RXFP1RAB9ANPC1KDM4E
SCHEMBL86681 0.81 ADORA3 (0.32) F10GRIN2BPTK2GRM5
SCHEMBL87151 0.81 PIK3CB (0.38) F10GRIN2BPTK2GRM5RAB9A
SCHEMBL87168 0.80 GRIN2B (0.34) F10GRIN2BPTK2GRM5ALDH1A1
SCHEMBL86624 0.79 PTAFR (0.34) HDAC8RAB9ANPC1KDM4EALDH1A1
SCHEMBL82216 0.79 FGFR3 (0.34) F10GRIN2BRXFP1RAB9ANPC1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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 F10 3761/4885GRIN2B 2816/4885HPGD 4285/4885
US-11185549-B2 Combination of a PI3K-inhibitor with an androgen receptor antagonist AR, PIK3CA, AKT3 F10 3443/4885GRIN2B 1044/4885HPGD 1986/4885
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 F10 2878/4885GRIN2B 1519/4885HPGD 1618/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG F10 2527/4885GRIN2B 2834/4885HPGD 735/4885
US-10383877-B2 Use of substituted 2, 3-dihydroimidazo[1,2-c]quinazolines for the treatment of myeloma MCL1, BCL9, BCL3 F10 2391/4885GRIN2B 4778/4885HPGD 609/4885
US-10925880-B2 Combination of PI3K-inhibitors BCL9L, BCL9, MALT1 F10 1946/4885GRIN2B 3356/4885HPGD 4599/4885
US-20190255063-A1 COMBINATION OF PI3K-INHIBITORS BCL9L, BCL9, MALT1 F10 1946/4885GRIN2B 3356/4885HPGD 4599/4885
US-20200222414-A1 COMBINATION OF A PI3K-INHIBITOR WITH AN ANDROGEN RECEPTOR ANTAGONIST AR, GSK3B, PIK3CA F10 4543/4885GRIN2B 735/4885HPGD 2049/4885

“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.