SCHEMBL25337041

SCHEMBL25337041

COc1ccc(CN2Cc3c(Br)cccc3C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.52
KDM4E B2RXH2 1/20 0.49
CASP3 P42574 2/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CHRM5 P08912 1/20 0.46
POLB P06746 1/20 0.46
PARK7 Q99497 1/20 0.44
DHPS P49366 1/20 0.44
CMA1 P23946 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
SCHEMBL29506999 1.00 IDH1 (0.52) IDH1KDM4ECASP3GAAMEN1
SCHEMBL28739054 0.88 SMN1; SMN2 (0.52) KDM4ECASP3GAAMEN1APAF1
SCHEMBL29644416 0.88 SMN1; SMN2 (0.52) KDM4ECASP3GAAMEN1APAF1
SCHEMBL31159232 0.85 IDH1 (0.52) IDH1KDM4ECASP3GAAMEN1
SCHEMBL30908544 0.85 IDH1 (0.52) IDH1KDM4ECASP3GAAMEN1
SCHEMBL18786951 0.84 IDH1 (0.48) IDH1KDM4ECASP3GAAMEN1
SCHEMBL451834 0.83 MEN1 (0.53) IDH1MEN1KMT2APOLBDHPS
SCHEMBL31667313 0.83 DHPS (0.49) IDH1MEN1KMT2ADHPS
SCHEMBL31322735 0.81 PARK7 (0.45) IDH1CASP3GAAMEN1APAF1
SCHEMBL31750343 0.81 IDH1 (0.61) IDH1KDM4ECASP3GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-11-23 US disclosed
EP-4221756-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2023-08-09 EP disclosed
CN-116249554-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-06-09 CN 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 (1 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-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB IDH1 2227/4885KDM4E 551/4885CASP3 184/4885

“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.