SCHEMBL21591903

SCHEMBL21591903

Cc1cnc2cc([N+](=O)[O-])c(Cl)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.55
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
GLP1R P43220 1/20 0.43
GALR2 O43603 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
CYP3A4 P08684 1/20 0.38
DHFR P00374 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL21591867 1.00 PGK1 (0.55) PGK1LMNAALDH1A1MAPTGLP1R
SCHEMBL21591902 0.84 GAA (0.48) PGK1LMNAALDH1A1MAPTGALR2
SCHEMBL30736408 0.84 GAA (0.48) PGK1LMNAALDH1A1MAPTGALR2
SCHEMBL30736426 0.84 GAA (0.48) PGK1LMNAALDH1A1MAPTGALR2
SCHEMBL21591894 0.84 GAA (0.48) PGK1LMNAALDH1A1MAPTGALR2
SCHEMBL29639044 0.79 ALDH1A1 (0.52) LMNAALDH1A1MAPTGLP1RPOLB
SCHEMBL15508247 0.79 ALDH1A1 (0.52) LMNAALDH1A1MAPTGLP1RPOLB
SCHEMBL1291907 0.78 PGK1 (0.61) PGK1LMNAALDH1A1MAPTGLP1R
SCHEMBL7825439 0.78 PGK1 (0.53) PGK1LMNAALDH1A1MAPTPOLB
SCHEMBL30905523 0.78 PGK1 (0.48) PGK1LMNAALDH1A1MAPTGLP1R

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 10 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
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
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 PGK1 190/4885LMNA 591/4885ALDH1A1 120/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB PGK1 122/4885LMNA 683/4885ALDH1A1 185/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB PGK1 190/4885LMNA 591/4885ALDH1A1 120/4885

“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.