SCHEMBL21591902

SCHEMBL21591902

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
POLB P06746 3/20 0.45
GALR2 O43603 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GRM6 O15303 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 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
SCHEMBL30736426 1.00 GAA (0.48) GAAPOLBGALR2LMNAALDH1A1
SCHEMBL21591894 1.00 GAA (0.48) GAAPOLBGALR2LMNAALDH1A1
SCHEMBL30736408 1.00 GAA (0.48) GAAPOLBGALR2LMNAALDH1A1
SCHEMBL21591903 0.84 PGK1 (0.55) POLBGALR2LMNAALDH1A1MAPT
SCHEMBL21591867 0.84 PGK1 (0.55) POLBGALR2LMNAALDH1A1MAPT
SCHEMBL9952727 0.80 GAA (0.50) GAAPOLBGALR2LMNAALDH1A1
SCHEMBL19213941 0.79 GAA (0.57) GAAPOLBGALR2LMNAALDH1A1
SCHEMBL2679771 0.78 ALDH1A1 (0.61) GAAALDH1A1MAPTCYP1A2NPC1
SCHEMBL29639032 0.78 ALDH1A1 (0.61) GAAALDH1A1MAPTCYP1A2NPC1
SCHEMBL8556955 0.77 GAA (0.51) GAAPOLBGALR2LMNAALDH1A1

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 9 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
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 GAA 1550/4885POLB 79/4885GALR2 2041/4885
US-20240150355-A1 PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER RECQL, PRPS1, PURB GAA 1653/4885POLB 97/4885GALR2 2173/4885
US-11884671-B2 Purinone compounds and their use in treating cancer RECQL, PRPS1, PURB GAA 1550/4885POLB 79/4885GALR2 2041/4885

“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.