SCHEMBL18988846

SCHEMBL18988846

O=C(O)NNC1CC(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
GLS O94925 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
AR P10275 2/20 0.38
HSD11B1 P28845 1/20 0.38
AKR1C3 P42330 1/20 0.38
MAPT P10636 2/20 0.37
PARP1 P09874 1/20 0.36
S100A4 P26447 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
HBB P68871 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL20583824 0.81 GAA (0.42) P2RX7MAOB
SCHEMBL29402484 0.81 GAA (0.42) P2RX7MAOB
SCHEMBL20252628 0.77 P2RX7 (0.51) P2RX7EDNRBEDNRAGLSADORA3
SCHEMBL8695216 0.77 P2RX7 (0.51) P2RX7EDNRBEDNRAGLSADORA3
SCHEMBL18988275 0.75 S100A4 (0.44) P2RX7EDNRBEDNRAGLSADORA3
SCHEMBL2404815 0.75 SLC6A2 (0.44) P2RX7ADORA3ARHSD11B1AKR1C3
SCHEMBL29908700 0.75 S100A4 (0.44) P2RX7EDNRBEDNRAGLSADORA3
Trifluoroacetic Acid SCHEMBL23150416 0.74 P2RX7 (0.44) P2RX7EDNRBEDNRAGLSADORA3
SCHEMBL1273705 0.73 LMNA (0.62) P2RX7EDNRBEDNRAGLSADORA3
SCHEMBL1990464 0.73 LMNA (0.62) P2RX7EDNRBEDNRAGLSADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2022-03-03 US disclosed
US-20210093611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2021-04-01 US disclosed
EP-3782994-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology, Inc. (US) 2021-02-24 EP disclosed
US-10918622-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2021-02-16 US disclosed
US-20200276162-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2020-09-03 US disclosed
US-10695323-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2020-06-30 US disclosed
US-10464905-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2019-11-05 US disclosed
US-10342780-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2019-07-09 US disclosed
US-20190135762-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2019-05-09 US disclosed
US-20190000806-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2019-01-03 US disclosed
US-20180362512-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2018-12-20 US disclosed
EP-3390395-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology Inc. (US) 2018-10-24 EP disclosed
WO-2017103611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS REDX PHARMA PLC (GB) 2017-06-22 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 (12 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-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-20180362512-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-20190135762-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-10918622-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-20200276162-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-10695323-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-20210093611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-10464905-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-10342780-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885
US-20190000806-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK P2RX7 2246/4885EDNRB 4255/4885EDNRA 4571/4885

“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.