SCHEMBL578326

SCHEMBL578326

CC(C)(c1ccc(Br)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
MGLL Q99685 1/20 0.44
CYP2B6 P20813 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.39
AKR1C3 P42330 1/20 0.39
PHGDH O43175 1/20 0.38
HSD11B1 P28845 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MPI P34949 1/20 0.36

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
SCHEMBL12449606 0.85 SIGMAR1 (0.50) ALDH1A1TSHRCYP2B6POLBRAB9A
SCHEMBL8354801 0.83 CYP2B6 (0.44) ALDH1A1TSHRTP53MGLLCYP2B6
SCHEMBL2297308 0.82 CYP2B6 (0.62) ALDH1A1CYP2B6HSD11B1RAB9ANPC1
SCHEMBL10611 0.81 CYP2B6 (0.43) ALDH1A1TSHRCYP2B6AKR1C3PHGDH
SCHEMBL12665881 0.81 CYP2B6 (0.66) ALDH1A1CYP2B6L3MBTL1HSD11B1RAB9A
SCHEMBL2696963 0.81 CYP2B6 (0.66) ALDH1A1CYP2B6SMN1; SMN2KMT2ALMNA
SCHEMBL3382510 0.80 CYP2B6 (0.42) ALDH1A1TP53CYP2B6POLBRAB9A
SCHEMBL29173728 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTP53CYP2B6L3MBTL1
SCHEMBL23805939 0.79 CYP2B6 (0.53) ALDH1A1MGLLCYP2B6POLBRAB9A
SCHEMBL13273200 0.79 ALDH1A1 (0.59) ALDH1A1TSHRTP53CYP2B6RAB9A

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021901-B1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2025-09-24 EP disclosed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
US-20240400563-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2024-12-05 US disclosed
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
CN-114302884-B Substituted pyridopyrimidinone compounds useful as T cell activators 百时美施贵宝公司 2024-06-04 CN disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
US-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-08-31 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010189-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (5 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-20230271933-A1 HETEROCYCLIC IMMUNOMODULATOR IL2, ICOS, IL5 ALDH1A1 233/4885TSHR 2299/4885TP53 170/4885
US-20240400563-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ALDH1A1 4233/4885TSHR 2041/4885TP53 217/4885
US-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 ALDH1A1 229/4885TSHR 182/4885TP53 2896/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 ALDH1A1 52/4885TSHR 529/4885TP53 2829/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 ALDH1A1 1591/4885TSHR 4524/4885TP53 435/4885

“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.