SCHEMBL2547225

SCHEMBL2547225

N#Cc1c(N)nc(-n2cccn2)nc1-n1cccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 1.00
ADORA1 P30542 2/20 0.63
ADORA3 P0DMS8 1/20 0.63
ADORA2B P29275 1/20 0.63
PDE10A Q9Y233 1/20 0.43
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14733915 0.85 ADORA2A (0.74) ADORA2AADORA1ADORA3ADORA2BPDE10A
Pbf-509 SCHEMBL21980568 0.78 ADORA2A (0.94) ADORA2AADORA1ADORA3ADORA2BPDE10A
Pbf-509 SCHEMBL30798032 0.78 ADORA2A (0.94) ADORA2AADORA1ADORA3ADORA2BPDE10A
Pbf-509 SCHEMBL30797853 0.78 ADORA2A (0.94) ADORA2AADORA1ADORA3ADORA2BPDE10A
Pbf-509 SCHEMBL2546228 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2548427 0.78 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2BPDE10A
Pbf-509 SCHEMBL29421140 0.78 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL2545691 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPDE10A
Pbf-509 SCHEMBL20576730 0.76 ADORA2A (0.97) ADORA2AADORA1ADORA3ADORA2BPDE10A
SCHEMBL29440767 0.76 ADORA2A (1.00) ADORA2AADORA1ADORA3ADORA2BPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552909-B1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA SL (ES) 2015-03-11 EP claimed
CN-102892761-B 4 - aminopyrimidine derivatives and their as as adenosine a2a receptor antagonists PALOBIOFARMA SL 2015-02-04 CN claimed
US-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2013-02-28 US claimed
EP-2552909-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2013-02-06 EP claimed
WO-2011121418-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2011-10-06 WO claimed
CN-114129568-A 5-bromo-2, 6-di- (1H-pyrazol-1-yl) pyrimidin-4-amines for the treatment of cancer 诺华股份有限公司 2022-03-04 CN disclosed
CN-108348521-B 5-bromo-2, 6-di- (1H-pyrazol-1-yl) pyrimidin-4-amines for the treatment of cancer 诺华股份有限公司 2021-12-03 CN disclosed
EP-3334431-B9 5-BROMO-2,6-DI-(1H-PYRAZOL-L-YL)PYRIMIDIN-4-AMINE FOR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2020-03-04 EP disclosed
US-10561653-B2 5-bromo-2,6-di-(1H-pyrazol-1-yl)pyrimidin-4-amine for use in the treatment of cancer NOVARTIS AG (CH) 2020-02-18 US disclosed
EP-3334431-B1 5-BROMO-2,6-DI-(1H-PYRAZOL-L-YL)PYRIMIDIN-4-AMINE FOR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2019-09-25 EP disclosed
EP-3334431-A1 5-BROMO-2,6-DI-(LH-PYRAZOL-L-YL)PYRIMIDIN-4-AMINE FOR USE IN THE TREATMENT OF CANCER Novartis AG (CH) 2018-06-20 EP disclosed
WO-2017025918-A1 5-BROMO-2,6-DI-(LH-PYRAZOL-L-YL)PYRIMIDIN-4-AMINE FOR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2017-02-16 WO disclosed
US-8796284-B2 4-aminopyrimidine derivatives and their as as adenosine A2a receptor antagonists PALOBIOFARMA, S.L. (ES) 2014-08-05 US disclosed
US-8796284-B2 4-aminopyrimidine derivatives and their as as adenosine A2a receptor antagonists PALOBIOFARMA, S.L. (ES) 2014-08-05 US disclosed
US-8796284-B2 4-aminopyrimidine derivatives and their as as adenosine A2a receptor antagonists PALOBIOFARMA, S.L. (ES) 2014-08-05 US disclosed
US-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2013-02-28 US disclosed
US-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2013-02-28 US disclosed
US-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2013-02-28 US disclosed
EP-2552909-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS Palobiofarma, S.L. (ES) 2013-02-06 EP disclosed
WO-2011121418-A1 4 - AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2A RECEPTOR ANTAGONISTS PALOBIOFARMA, S.L. (ES) 2011-10-06 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 (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-20130053308-A1 4-AMINOPYRIMIDINE DERIVATIVES AND THEIR AS AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA1 2/4885ADORA3 3/4885
US-10561653-B2 5-bromo-2,6-di-(1H-pyrazol-1-yl)pyrimidin-4-amine for use in the treatment of cancer BRD4, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADORA2A 516/4885ADORA1 1171/4885ADORA3 827/4885

“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.