SCHEMBL7322176

SCHEMBL7322176

CNc1nc(Br)cnc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
ATR Q13535 1/20 0.37
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 2/20 0.34
GRM5 P41594 1/20 0.34
CCR4 P51679 6/20 0.33
EDNRA P25101 1/20 0.33
PDPK1 O15530 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
LRRK2 Q5S007 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL30588876 1.00 ADORA2A (0.37) ADORA2AATRHTTKMT2AMAPK1
SCHEMBL31362142 0.83 ADORA2A (0.37) ADORA2AATRHTTKMT2AMAPK1
SCHEMBL18824620 0.83 ADORA2A (0.37) ADORA2AATRHTTKMT2AMAPK1
SCHEMBL15803560 0.80 ATR (0.38) ATRHTTKMT2AMAPK1GRM5
SCHEMBL12146478 0.79 ATR (0.35) ATRHTTKMT2AMAPK1GRM5
SCHEMBL15803561 0.78 ATR (0.40) ADORA2AATRHTTKMT2AMAPK1
SCHEMBL28104016 0.78 PDE10A (0.40) ATRHTTKMT2ACCR4EDNRA
SCHEMBL30943953 0.77 MAPKAPK2 (0.44) GRM5
SCHEMBL2318784 0.76 MAPK1 (0.35) ADORA2AMAPK1CCR4EDNRALRRK2
SCHEMBL28155245 0.74 ATR (0.37) ATRHTTKMT2AMAPK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107486158-A There is the montmorillonite-base sorbing material its preparation method of solidification function to mercury in river bottom mud 北京清水润土环保科技有限公司 2017-12-19 CN claimed
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
US-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2025-07-03 US disclosed
WO-2025076235-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-10 WO disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
EP-4493562-A1 TYK2 INHIBITORS AND USES THEREOF Alumis Inc. (US) 2025-01-22 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 WO disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 WO disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO disclosed
WO-2020264420-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. (US) 2020-12-30 WO disclosed
CN-107486158-A There is the montmorillonite-base sorbing material its preparation method of solidification function to mercury in river bottom mud 北京清水润土环保科技有限公司 2017-12-19 CN disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-5028605-A Antispasmodic, bronchodilators, uterine relaxants, cardiac analeptics, neurosedatives L'UNIVERSITE DE MONTPELLIER I (FR) 1991-07-02 US disclosed
EP-0348392-A1 8-ALKYLAMINOIMIDAZO[1,2-A]PYRAZINES AND DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Université Montpellier I (FR) 1990-01-03 EP disclosed
WO-1988004298-A1 8-ALKYLAMINOIMIDAZO[1,2-A]PYRAZINES AND DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-06-16 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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ADORA2A 1798/4885ATR 4143/4885HTT 4029/4885
US-20250213571-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 ADORA2A 3674/4885ATR 501/4885HTT 750/4885

“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.