SCHEMBL15904101

SCHEMBL15904101

CSc1nc(N)c(Br)c(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HSP90AB1 P08238 2/20 0.39
ABCB1 P08183 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSP90AA1 P07900 3/20 0.35
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL30108079 1.00 KMT2A (0.41) KMT2AHSP90AB1ABCB1CYP1A2CYP2C9
SCHEMBL22055448 0.84 HSP90AB1 (0.46) KMT2AHSP90AB1ABCB1HSP90AA1LMNA
SCHEMBL11191903 0.80 HSP90AB1 (0.40) KMT2AHSP90AB1ABCB1CYP1A2CYP2C9
SCHEMBL11225658 0.80 HSP90AB1 (0.40) KMT2AHSP90AB1ABCB1CYP1A2CYP2C9
SCHEMBL29439810 0.78 CYP1A2 (0.39) KMT2AHSP90AB1CYP1A2CYP2C9CYP2C19
SCHEMBL22715908 0.78 CYP1A2 (0.39) KMT2AHSP90AB1CYP1A2CYP2C9CYP2C19
SCHEMBL6034037 0.78 ABCB1 (0.46) KMT2AHSP90AB1ABCB1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11429110 0.77 ABCB1 (0.44) KMT2AHSP90AB1ABCB1CYP1A2CYP2C9
SCHEMBL18893671 0.77 HSP90AB1 (0.38) KMT2AHSP90AB1ABCB1CYP1A2CYP2C9
SCHEMBL719751 0.77 HSP90AB1 (0.38) KMT2AHSP90AB1ABCB1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110290808-B 1- (4-amino-5-bromo-6- (1H-pyrazol-1-yl) pyrimidin-2-yl) -1H-pyrazol-4-ol and use thereof in the treatment of cancer 诺华股份有限公司 2023-07-11 CN disclosed
WO-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed
US-11078191-B2 1-(4-amino-5-bromo-6-(1H-pyrazol-1-yl)pyrimidin-2-yl)-1H-pyrazol-4-ol and use thereof in the treatment of cancer NOVARTIS AG (CH) 2021-08-03 US disclosed
EP-3579874-B1 1-(4-AMINO-5-BROMO-6-(1 H-PYRAZOL-1-YL)PYRIMIDIN-2-YL)-1 H-PYRAZOL-4-OL AND USE THEREOF IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2021-07-21 EP disclosed
EP-3579874-B1 1-(4-AMINO-5-BROMO-6-(1 H-PYRAZOL-1-YL)PYRIMIDIN-2-YL)-1 H-PYRAZOL-4-OL AND USE THEREOF IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2021-07-21 EP disclosed
WO-2021121397-A1 SUBSTITUTED ALKYNYL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2021-06-24 WO disclosed
WO-2021121397-A1 SUBSTITUTED ALKYNYL HETEROCYCLIC COMPOUND 首药控股(北京)股份有限公司 2021-06-24 WO disclosed
WO-2018146612-A1 1-(4-AMINO-5-BROMO-6-(1 H-PYRAZOL-1-YL)PYRIMIDIN-2-YL)-1 H-PYRAZOL-4-OL AND USE THEREOF IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2018-08-16 WO disclosed
US-9447095-B2 Pyrimidine derivatives as phosphodiesterase 10 inhibitors (PDE-10) PALOBIOFARMA S.L. (ES) 2016-09-20 US disclosed
EP-2948443-B1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA SL (ES) 2016-08-31 EP disclosed
EP-2948443-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L. (ES) 2015-12-02 EP disclosed
US-20150336953-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L. (ES) 2015-11-26 US disclosed
WO-2014114695-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PALOBIOFARMA S.L (ES) 2014-07-31 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-11078191-B2 1-(4-amino-5-bromo-6-(1H-pyrazol-1-yl)pyrimidin-2-yl)-1H-pyrazol-4-ol and use thereof in the treatment of cancer ADORA2A, ADORA1, ADORA3 KMT2A 2017/4885HSP90AB1 2920/4885ABCB1 432/4885
US-20150336953-A1 NEW PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS (PDE-10) PDE12, PDE5A, PDE10A KMT2A 2522/4885HSP90AB1 3538/4885ABCB1 1563/4885

“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.