SCHEMBL20096148

SCHEMBL20096148

C[C@H](Cc1cccc2[nH]nc(F)c12)NCC(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR2B P41595 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MAPK8 P45983 1/20 0.31
ESR1 P03372 1/20 0.30
KCNH2 Q12809 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28720835 1.00 SIGMAR1 (0.31) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL29416082 1.00 SIGMAR1 (0.31) SIGMAR1LMNAMAPTADRA2CHTR2A
SCHEMBL28712146 0.79 BCHE (0.34) BCHEACHE
SCHEMBL20117005 0.78 PARP1 (0.32) HTR2AMAPK8
SCHEMBL28707242 0.77 HTR2A (0.42) SIGMAR1HTR2ASLC6A4HTR2BMAPK8
SCHEMBL29416206 0.77 HTR2A (0.42) SIGMAR1HTR2ASLC6A4HTR2BMAPK8
SCHEMBL20089760 0.77 HTR2A (0.42) SIGMAR1HTR2ASLC6A4HTR2BMAPK8
SCHEMBL19469910 0.76 AXL (0.44)
SCHEMBL29416146 0.76 AXL (0.44)
SCHEMBL19469912 0.76 AXL (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656464-A 6,7,8, 9-tetrahydro-3H-pyrazolo [4,3-f ] isoquinoline derivatives useful for the treatment of cancer 阿斯利康(瑞典)有限公司 2022-06-24 CN disclosed
CN-109843888-B 6, 7, 8, 9-tetrahydro-3H-pyrazolo [4, 3-f ] isoquinoline derivatives useful for the treatment of cancer 阿斯利康(瑞典)有限公司 2022-03-01 CN disclosed
EP-3640251-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2021-12-08 EP disclosed
US-20210284636-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2021-09-16 US disclosed
US-10961241-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-30 US disclosed
US-20200239467-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2020-07-30 US disclosed
EP-3640251-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2020-04-22 EP disclosed
US-10590130-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-17 US disclosed
EP-3433256-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVE USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2019-08-07 EP disclosed
US-20190100520-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2019-04-04 US disclosed
WO-2018077630-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2018-05-03 WO disclosed
US-20180111931-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-26 US 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 (6 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-20200239467-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 SIGMAR1 2627/4885LMNA 1007/4885MAPT 1908/4885
US-10961241-B2 Chemical compounds MKI67, CCNI, MCL1 SIGMAR1 2627/4885LMNA 1007/4885MAPT 1908/4885
US-20180111931-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 SIGMAR1 2627/4885LMNA 1007/4885MAPT 1908/4885
US-20190100520-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 SIGMAR1 2627/4885LMNA 1007/4885MAPT 1908/4885
US-10590130-B2 Chemical compounds MKI67, CCNI, MCL1 SIGMAR1 2627/4885LMNA 1007/4885MAPT 1908/4885
US-20210284636-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 SIGMAR1 2627/4885LMNA 1007/4885MAPT 1908/4885

“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.