SCHEMBL4611244

SCHEMBL4611244

O=C(NC(F)(F)F)c1ccncn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.61
GRM4 Q14833 5/20 0.50
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
ADORA3 P0DMS8 1/20 0.39
ABL1 P00519 1/20 0.39
MMP13 P45452 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
CD38 P28907 1/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
GRM5 P41594 1/20 0.36
GPR6 P46095 1/20 0.36

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
SCHEMBL37633 0.77 P2RX7 (0.69) P2RX7GRM4GSK3AGSK3BADORA3
SCHEMBL1570558 0.76 TLR7 (0.58) GRM4KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL851785 0.76 P2RX7 (0.41) P2RX7GRM4GSK3AGSK3BADORA3
SCHEMBL28051979 0.76 P2RX7 (0.57) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL19075298 0.76 P2RX7 (0.57) P2RX7GRM4GSK3AGSK3BMMP13
SCHEMBL107554 0.76 P2RX7 (1.00) P2RX7GRM4GSK3AGSK3BADORA3
SCHEMBL3650483 0.76 P2RX7 (0.67) P2RX7GRM4GSK3AGSK3BABL1
SCHEMBL31627592 0.76 P2RX7 (1.00) P2RX7GRM4GSK3AGSK3BADORA3
Hydrochloric Acid SCHEMBL26929400 0.75 TLR7 (0.56) GRM4KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL13727215 0.75 SORT1 (0.55) P2RX7GSK3BMMP13HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259171-A9 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-01-23 WO claimed
WO-2024259171-A2 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-12-19 WO claimed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP claimed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO claimed
WO-2025229624-A2 NEW CD38 INHIBITORS NAPA THERAPEUTICS LIMITED (GB) 2025-11-06 WO disclosed
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. 2025-01-09 US disclosed
WO-2024259171-A2 KEAP1 INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-12-19 WO disclosed
EP-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 US disclosed
EP-4076520-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2022032071-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-02-10 WO disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
EP-3174886-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-06-07 EP disclosed
WO-2016016292-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-02-04 WO disclosed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT P2RX7 196/4885GRM4 855/4885GSK3A 330/4885
US-20250011291-A1 KEAP1 INHIBITORS AND USES THEREOF KEAP1, NFE2L2, NQO1 P2RX7 4405/4885GRM4 4331/4885GSK3A 680/4885

“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.