SCHEMBL357701

SCHEMBL357701

COc1[c]ccc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 6/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
PDE4B Q07343 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36

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
SCHEMBL7468946 0.98 CYP11B1 (0.42) CYP11B1CYP11B2MAPTKDM4EALDH1A1
SCHEMBL4858324 0.89 CYP3A4 (0.33) ALDH1A1TSHRCYP1A1CYP1A2CYP2E1
SCHEMBL7471853 0.86 ESR2 (0.39) CYP11B1CYP11B2MAPTKDM4EALDH1A1
SCHEMBL7466430 0.86 CYP1A1 (0.44) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL7472137 0.84 ESR2 (0.39) CYP11B1CYP11B2KDM4EALDH1A1L3MBTL1
SCHEMBL7467261 0.84 CYP1A1 (0.41) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL9180621 0.83 ACHE (0.42) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL27589325 0.83 CYP3A4 (0.50) ALDH1A1GAACYP1A1CYP1A2CYP2E1
SCHEMBL11466692 0.82 MCL1 (0.37) ALDH1A1HPGDKMT2ANPC1
SCHEMBL7467199 0.82 PTGS1 (0.38) MAPTHPGDKMT2AMEN1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US claimed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US claimed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US claimed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US claimed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US claimed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 EP claimed
US-4994461-A Vasodilators; treating cardiovascular disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1991-02-19 US claimed
CN-112105611-A Pharmaceutical combination comprising a Histone Deacetylase (HDAC) inhibitor and a TLR7 agonist and/or a TLR8 agonist for the treatment of cancer 4SC股份公司 2020-12-18 CN disclosed
CN-112055589-A Combination comprising an HDAC inhibitor, a LAG-3 inhibitor and a PD-1 inhibitor or a PD-L1 inhibitor for the treatment of cancer 4SC股份公司 2020-12-08 CN disclosed
CN-112004535-A Combination comprising an HDAC inhibitor and a CD137 agonist for cancer therapy 4SC股份公司 2020-11-27 CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 WO disclosed
US-5939418-A ANTICOAGULANT THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-08-17 US disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 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 (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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 CYP11B1 10/4885CYP11B2 15/4885MAPT 4734/4885
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP11B1 1602/4885CYP11B2 1984/4885MAPT 1941/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP11B1 1602/4885CYP11B2 1984/4885MAPT 1941/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CYP11B1 1602/4885CYP11B2 1984/4885MAPT 1941/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP11B1 1602/4885CYP11B2 1984/4885MAPT 1941/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 CYP11B1 1602/4885CYP11B2 1984/4885MAPT 1941/4885

“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.