SCHEMBL21593640

SCHEMBL21593640

Nc1cnc(Cl)nc1NC1COC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
AXL P30530 1/20 0.36
PIK3CA P42336 1/20 0.33
MAT2A P31153 1/20 0.33
MAPK1 P28482 1/20 0.32
PTPN11 Q06124 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 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
SCHEMBL19654457 0.85 KMT2A (0.55) KMT2AAXLPIK3CAMAPK1CSNK1A1
SCHEMBL12067756 0.84 MAPK1 (0.50) KMT2AAXLPIK3CAMAPK1ADORA3
SCHEMBL1936873 0.83 KMT2A (0.46) KMT2AAXLMAT2AMAPK1ADORA3
SCHEMBL1783010 0.82 KMT2A (0.65) KMT2AAXLADORA3ADORA2AADORA2B
SCHEMBL12069200 0.81 KMT2A (0.68) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL21593675 0.78 KMT2A (0.49) KMT2AAXLADORA3ADORA2AADORA1
SCHEMBL21593674 0.78 KMT2A (0.49) KMT2AAXLPIK3CAMAPK1ADORA3
SCHEMBL1783841 0.78 KMT2A (0.49) KMT2AAXLCLK4
SCHEMBL22998017 0.77 ULK1 (0.50) KMT2A
SCHEMBL21409882 0.77 CSNK1A1 (0.45) KMT2AAXLMAT2ACSNK1A1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2024-05-09 US disclosed
CN-112236431-B Purinone Compounds and Their Use in the Treatment of Cancer 阿斯利康(瑞典)有限公司 2024-02-13 CN disclosed
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
EP-3807278-B1 PURINONE DERIVATIVES AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-08-31 EP disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-10 US disclosed
CN-112236431-A Purinone compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-01-15 CN disclosed
WO-2019238929-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-12-19 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 (4 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 KMT2A 3498/4885AXL 4594/4885PIK3CA 1017/4885
US-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB KMT2A 1635/4885AXL 4442/4885PIK3CA 1179/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB KMT2A 1645/4885AXL 4428/4885PIK3CA 1081/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB KMT2A 1635/4885AXL 4442/4885PIK3CA 1179/4885

“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.