SCHEMBL107873

SCHEMBL107873

Cc1cn2c(n1)CNCC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.50
CD274 Q9NZQ7 2/20 0.50
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
P2RX7 Q99572 2/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC1 Q13547 2/20 0.36
MGLL Q99685 3/20 0.36
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
NCF1 P14598 1/20 0.31
CXCR4 P61073 1/20 0.30

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
SCHEMBL20082396 0.89 PDCD1 (0.42) PDCD1CD274TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL15006961 0.87 PDCD1 (0.41) PDCD1CD274TLR9TLR8TLR7
SCHEMBL7904788 0.83 PDCD1 (0.37) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933517 0.77 PDCD1 (0.43) PDCD1CD274TLR9TLR8TLR7
SCHEMBL20330389 0.77 PDCD1 (0.43) PDCD1CD274TLR9TLR8TLR7
SCHEMBL21126220 0.77 PDCD1 (0.44) PDCD1CD274TLR9TLR8TLR7
SCHEMBL3720213 0.77 PDCD1 (0.44) PDCD1CD274TLR9TLR8TLR7
SCHEMBL112848 0.77 PDCD1 (0.44) PDCD1CD274TLR9TLR8TLR7
SCHEMBL12092418 0.77 PDCD1 (0.44) PDCD1CD274TLR9TLR8TLR7
SCHEMBL13531866 0.75 HDAC2 (0.46) PDCD1CD274TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250215016-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Shanghai SIMR Biotechnology Co., Ltd (CN) 2025-07-03 US disclosed
EP-4506348-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simrd Biotechnology Co., Ltd (CN) 2025-02-12 EP disclosed
US-20240018120-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2024-01-18 US disclosed
CN-116854680-A Isoxazole-heterocycle derivatives, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-10-10 CN disclosed
WO-2023185704-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-10-05 WO disclosed
WO-2023159307-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2023-08-31 WO disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
EP-4223369-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE Incyte Corporation (US) 2023-08-09 EP disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 EP disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010098495-A1 IMIDAZOLYLPYRAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP 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 (5 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-20240018120-A1 MAGL INHIBITORS MAG, MAGI3, MAGT1 PDCD1 1951/4885CD274 2159/4885TLR9 4679/4885
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 PDCD1 1977/4885CD274 2236/4885TLR9 1224/4885
US-20250215016-A1 ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE GABRA5, GABRA1, CYP3A5 PDCD1 3077/4885CD274 3001/4885TLR9 3485/4885
US-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 PDCD1 2331/4885CD274 2512/4885TLR9 3269/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A PDCD1 3348/4885CD274 3380/4885TLR9 1926/4885

“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.