SCHEMBL21593566

SCHEMBL21593566

Cc1cc2nccc(Cl)c2cc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
XBP1 P17861 1/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CHKA P35790 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33

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
SCHEMBL21593570 0.88 ESR2 (0.39) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL21593663 0.77 NPC1 (0.43) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL7215767 0.76 ESR2 (0.36) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL6002911 0.73 TLR8 (0.43) TLR8KDM4ENPC1ALDH1A1MAPT
SCHEMBL31601048 0.71 ESR2 (0.41) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL28722262 0.70 NR4A2 (0.47) TLR8KDM4ENPC1ALDH1A1GAA
SCHEMBL30949998 0.70 ESR1 (0.36) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL2700894 0.68 ESR1 (0.36) ESR1ESR2KDM4ENPC1ALDH1A1
SCHEMBL12786975 0.67 TLR8 (0.39) TLR8KDM4EALDH1A1MAPTLMNA
SCHEMBL16604815 0.67 TLR8 (0.39) TLR8KDM4EALDH1A1MAPTLMNA

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 7 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
US-11884671-B2 Purinone compounds and their use in treating cancer ASTRAZENECA AB (SE) 2024-01-30 US 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 (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 ESR1 2666/4885ESR2 1887/4885TLR8 3905/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB ESR1 2245/4885ESR2 1939/4885TLR8 3829/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB ESR1 2666/4885ESR2 1887/4885TLR8 3905/4885

“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.