SCHEMBL21591900

SCHEMBL21591900

COc1ccnc2cc(C)c(N)cc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
SRC P12931 2/20 0.47
TGFBR1 P36897 2/20 0.47
EGFR P00533 1/20 0.47
KDR P35968 1/20 0.46
FGFR2 P21802 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL21591888 0.83 EGFR (0.50) PDGFRBPDGFRASRCTGFBR1EGFR
SCHEMBL4481865 0.82 SRC (0.60) PDGFRBPDGFRASRCTGFBR1EGFR
SCHEMBL21591890 0.82 SMN1; SMN2 (0.44) MEN1NPC1RAB9AKMT2A
SCHEMBL29362546 0.82 SMN1; SMN2 (0.44) MEN1NPC1RAB9AKMT2A
SCHEMBL167759 0.78 PDGFRB (0.71) PDGFRBPDGFRAEGFRKDRFGFR2
SCHEMBL4400367 0.77 PDGFRB (0.72) PDGFRBPDGFRASRCTGFBR1EGFR
SCHEMBL28722262 0.77 NR4A2 (0.47) MEN1NPC1RAB9AKMT2A
SCHEMBL24250089 0.76 SRC (0.50) PDGFRBPDGFRASRCTGFBR1EGFR
Amiquinsin SCHEMBL242841 0.75 EHMT2 (0.63) PDGFRBPDGFRASRCEGFRKDR
SCHEMBL14908846 0.75 PDPK1 (0.51) PDGFRBPDGFRAKDRFGFR2

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
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
CN-116406272-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2023-07-07 CN disclosed
EP-3807278-B1 PURINONE DERIVATIVES AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2022-08-31 EP disclosed
CN-114195805-A DNA-PK selective inhibitor and preparation method and application thereof 首药控股(北京)股份有限公司 2022-03-18 CN disclosed
WO-2022017368-A1 DNA-PK SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 首药控股(北京)股份有限公司 2022-01-27 WO 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
EP-3807278-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2021-04-21 EP 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
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 (3 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-20210171525-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PDGFRB 1414/4885PDGFRA 1129/4885SRC 3936/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PDGFRB 1209/4885PDGFRA 1019/4885SRC 3902/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB PDGFRB 1414/4885PDGFRA 1129/4885SRC 3936/4885

“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.