SCHEMBL358784

SCHEMBL358784

COc1[c]cc(Cl)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ACHE P22303 1/20 0.33
HPGD P15428 1/20 0.33
PGK1 P00558 1/20 0.33
GSK3B P49841 1/20 0.33
MAP4K2 Q12851 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL219318 0.83 GAA (0.42) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL1028624 0.82 GAA (0.31) GAANPC1TAAR1
SCHEMBL28911399 0.81 NPC1 (0.35) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL1637752 0.80 GAA (0.43) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL592705 0.79 CYP3A4 (0.39) ALDH1A1MAPTACHEKDM4ESMN1; SMN2
SCHEMBL1636806 0.78 GAA (0.42) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL5566940 0.78 KMT2A (0.33) ALDH1A1MAPTKDM4E
SCHEMBL2344135 0.77 GAA (0.41) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL28451459 0.77 GAA (0.41) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL11532083 0.77 GAA (0.50) GAANPC1TAAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US claimed
EP-4135842-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN Pharmaceutica NV (BE) 2023-02-22 EP claimed
CN-115485026-A Pyrazolo [1,2-D ] [1,2,4] triazin-2-yl-acetamides as NLRP3 inflammatory pathway inhibitors 詹森药业有限公司 2022-12-16 CN claimed
WO-2021209539-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO claimed
EP-3141552-B1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM IND CO LTD (KR) 2019-04-17 EP claimed
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2018-10-30 US claimed
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
EP-3141552-A1 THIENOPYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2017-03-15 EP claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US claimed
US-4721745-A METALLIZED ISOINDO DYES BAYER AKTIENGESELLSCHAFT (DE) 1988-01-26 US claimed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
US-4696675-A Process for preparing water-insoluble blue azo dyes on the fiber: hydroxynaphthoic amide and diazotized di-alkoxy-benzidine HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-29 US claimed
EP-0224687-A1 Metal complex pigments BAYER AG (DE) 1987-06-10 EP claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
US-4555567-A FOR CHARGE TRANSFER IN ELECTROPHOTOGRAPHIC ELEMENT RICOH CO., LTD. (JP) 1985-11-26 US claimed
EP-0055850-B1 DISAZO COMPOUNDS, METHODS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1984-08-01 EP claimed
US-4440845-A CHARGE TRANSFER COMPOUND RICOH CO., LTD. (JP) 1984-04-03 US claimed
EP-0055850-A2 Disazo compounds, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-14 EP claimed
US-4041036-A NAPHTHO(1',2':5,6)-PYRANO(2,3-D)PYRIMIDINE DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-09 US claimed

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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GAA 4543/4885NPC1 2973/4885TAAR1 1577/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 GAA 4543/4885NPC1 2973/4885TAAR1 1577/4885
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B GAA 4318/4885NPC1 2094/4885TAAR1 1872/4885
US-10112954-B2 Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase CDK2, SBK3, CDK2AP1 GAA 1653/4885NPC1 1206/4885TAAR1 4595/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 GAA 4543/4885NPC1 2973/4885TAAR1 1577/4885

“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.