SCHEMBL3748563

SCHEMBL3748563

CCn1c(=O)c2c(nc(CCc3ccc(OC)c(OC)c3)n2C)n(CC)c1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
ADORA2A P29274 3/20 0.60
ADORA1 P30542 3/20 0.60
HTR1A P08908 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CYP2C9 P11712 1/20 0.60
PDE4A P27815 1/20 0.60
ADORA2B P29275 1/20 0.60
PDE4D Q08499 1/20 0.60
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL14629809 0.81 SMN1; SMN2 (0.51) MAOBADORA2AADORA1HTR1AADORA3
SCHEMBL14887170 0.77 ADORA1 (0.62) MAOBADORA2AADORA1ADORA3ADORA2B
SCHEMBL14887169 0.76 ADORA2A (0.60) MAOBADORA2AADORA1ADORA3ADORA2B
SCHEMBL4637336 0.76 ADORA2A (0.60) MAOBADORA2AADORA1HTR1AADORA3
Istradefylline SCHEMBL30358491 0.75 ADORA2A (1.00) MAOBADORA2AADORA1HTR1AADORA3
Istradefylline SCHEMBL633263 0.75 ADORA2A (1.00) MAOBADORA2AADORA1HTR1AADORA3
Istradefylline SCHEMBL29471410 0.75 ADORA2A (1.00) MAOBADORA2AADORA1HTR1AADORA3
Istradefylline SCHEMBL5967914 0.75 ADORA2A (1.00) MAOBADORA2AADORA1HTR1AADORA3
SCHEMBL3748561 0.75 ADORA2A (0.59) MAOBADORA2AADORA1HTR1AADORA3
Istradefylline SCHEMBL633262 0.75 ADORA2A (1.00) MAOBADORA2AADORA1HTR1AADORA3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209594-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2019-07-11 US claimed
EP-3452092-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-13 EP claimed
WO-2017191300-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-11-09 WO claimed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO claimed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US claimed
US-11376269-B2 Pharmaceutical compositions for the treatment of chemoresistant acute myeloid leukemia (AML) INSERM (FR) 2022-07-05 US disclosed
EP-3744348-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INST NAT SANTE RECH MED (FR) 2022-03-23 EP disclosed
EP-3744348-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-12-02 EP disclosed
EP-3452092-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INST NAT SANTE RECH MED (FR) 2020-08-26 EP disclosed
US-20190209594-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2019-07-11 US disclosed
EP-3452092-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-13 EP disclosed
WO-2017191300-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-11-09 WO disclosed
US-7829332-B2 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom CORNELL RESEARCH FOUNDATION, INC. (US) 2010-11-09 US disclosed
US-20090306009-A1 Modulation of the P2Y2 Receptor Pathway P2-SCIENCE APS (DK) 2009-12-10 US disclosed
EP-2036567-A2 Modulation of the P2Y2 receptor pathway P2-Science APS (DK) 2009-03-18 EP disclosed
US-20070149555-A1 Prophylatic and/or therapeutic agents for chronic musculoskeletal pain KYOWA HAKKO KOGYO CO., LTD (JP) 2007-06-28 US disclosed
US-20070149555-A1 Prophylatic and/or therapeutic agents for chronic musculoskeletal pain KYOWA HAKKO KOGYO CO., LTD (JP) 2007-06-28 US disclosed
WO-2005079250-A2 PURINES ARE SELF-RENEWAL SIGNALS FOR NEURAL STEM CELLS, AND PURINE RECEPTOR ANTAGONISTS PROMOTE NEURONAL AND GLIAL DIFFERENTIATION THEREFROM CORNELL RESEARCH FOUNDATION, INC. (US) 2005-09-01 WO disclosed
US-20050181503-A1 Purines are self-renewal signals for neural stem cells, and purine receptor antagonists promote neuronal and glial differentiation therefrom NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 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 (2 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-20090306009-A1 Modulation of the P2Y2 Receptor Pathway P2RY2, P2RY1, P2RY11 MAOB 982/4885ADORA2A 19/4885ADORA1 22/4885
US-20070149555-A1 Prophylatic and/or therapeutic agents for chronic musculoskeletal pain ADORA2A, ADORA2B, ADORA3 MAOB 1735/4885ADORA2A 1/4885ADORA1 5/4885

“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.