SCHEMBL564882

SCHEMBL564882

CC(C)(O)Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
NR3C1 P04150 2/20 0.40
NR3C2 P08235 2/20 0.40
PGR P06401 1/20 0.40
TRPA1 O75762 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
DAO P14920 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL30090103 1.00 RIPK1 (0.46) RIPK1IDO1AGXTKDM4ESMN1; SMN2
SCHEMBL19030783 0.85 RIPK1 (0.42) RIPK1IDO1AGXTKDM4ESMN1; SMN2
SCHEMBL1704764 0.83 IDO1 (0.48) RIPK1IDO1AGXTKDM4ESMN1; SMN2
SCHEMBL11894496 0.82 PYCR1 (0.45) TBXA2R
SCHEMBL31085047 0.82 PYCR1 (0.45) TBXA2R
SCHEMBL11962264 0.82 P2RX7 (0.36) RIPK1KDM4ESMN1; SMN2
SCHEMBL19030536 0.82 RIPK1 (0.42) RIPK1IDO1AGXTKDM4ESMN1; SMN2
SCHEMBL19030566 0.81 NR3C1 (0.38) NR3C1NR3C2PGRALDH1A1TBXA2R
SCHEMBL20820505 0.81 EPHX2 (0.42) IDO1ALDH1A1TDP1
SCHEMBL30090066 0.81 NR3C1 (0.38) NR3C1NR3C2PGRALDH1A1TBXA2R

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
CN-112480101-B IRAK4 kinase inhibitor, preparation and application thereof 中国科学院上海药物研究所 2022-11-25 CN disclosed
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 US disclosed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
WO-2021047677-A1 IRAK4 KINASE INHIBITOR AND PREPARATION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2021-03-18 WO disclosed
CN-112480101-A IRAK4 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2021-03-12 CN disclosed
CN-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 CN disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
WO-2005110421-A2 AEROSOL FORMULATION FOR INHALATION OF BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2005102350-A1 BENZOXAZINE FOR TREATING RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-06 US disclosed
EP-1562603-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-17 EP disclosed
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-29 US disclosed
WO-2004045618-A2 NOVEL MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-03 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 (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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 RIPK1 86/4885IDO1 1789/4885AGXT 3742/4885
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 RIPK1 4864/4885IDO1 2974/4885AGXT 3258/4885
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 RIPK1 4830/4885IDO1 2838/4885AGXT 1887/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR RIPK1 4814/4885IDO1 2893/4885AGXT 958/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 RIPK1 4721/4885IDO1 1760/4885AGXT 2295/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B RIPK1 4392/4885IDO1 2797/4885AGXT 1275/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 RIPK1 34/4885IDO1 1052/4885AGXT 4330/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 RIPK1 56/4885IDO1 1382/4885AGXT 3815/4885

“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.