SCHEMBL6715596

SCHEMBL6715596

CCOC(=O)Cc1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
JAK2 O60674 1/20 0.47
PAK4 O96013 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
GRK5 P34947 1/20 0.47
MAP2K2 P36507 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL29507018 1.00 SMN1; SMN2 (0.50) SMN1; SMN2JAK2PAK4NTRK1LCK
SCHEMBL170083 0.81 HSD17B10 (0.56) SMN1; SMN2PDGFRBGSK3BHSD17B10MEN1
SCHEMBL21822216 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALKHSD17B10ALOX15MEN1
SCHEMBL5694475 0.79 GPR17 (0.44) HRH4MAPTL3MBTL1KDM4E
SCHEMBL3275836 0.77 ALOX15 (0.70) SMN1; SMN2HSD17B10ALOX15HRH4MEN1
SCHEMBL29507036 0.77 ALOX15 (0.70) SMN1; SMN2HSD17B10ALOX15HRH4MEN1
SCHEMBL5777282 0.77 SMN1; SMN2 (0.49) SMN1; SMN2JAK2PAK4NTRK1LCK
SCHEMBL25432922 0.76 HSD17B10 (0.50) SMN1; SMN2JAK2PAK4NTRK1LCK
SCHEMBL7469548 0.76 KDM4E (0.42) SMN1; SMN2HSD17B10ALOX15MEN1KMT2A
SCHEMBL30552785 0.76 HSD17B10 (0.50) SMN1; SMN2JAK2PAK4NTRK1LCK

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-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
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US disclosed
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US disclosed
EP-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP disclosed
CN-1418216-A Novel 2,3,4, 5-tetrahydro-1H- [1,4] diaza * o [1, 7-a ] indole compounds UPJOHN CO (US) 2003-05-14 CN disclosed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 US disclosed
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 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-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E SMN1; SMN2 3137/4885JAK2 1806/4885PAK4 1772/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 SMN1; SMN2 3483/4885JAK2 3333/4885PAK4 4881/4885
US-20230374007-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER RARA, RARG, RARB SMN1; SMN2 1457/4885JAK2 178/4885PAK4 2799/4885

“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.