SCHEMBL19207971

SCHEMBL19207971

N#Cc1cccc(Cc2nnc(C(=O)O)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
VNN1 O95497 3/20 0.44
PIN1 Q13526 2/20 0.44
IDH1 O75874 1/20 0.44
LMNA P02545 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FOLH1 Q04609 1/20 0.41
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
CCR2 P41597 1/20 0.40
CTSB P07858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DGAT2 Q96PD7 1/20 0.39
ALKBH1 Q13686 1/20 0.39

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
SCHEMBL29415679 1.00 BRS3 (0.47) BRS3HRH3VNN1PIN1IDH1
SCHEMBL19207896 0.85 POLB (0.46) BRS3HRH3IDH1FFAR1
SCHEMBL29415805 0.85 POLB (0.46) BRS3HRH3IDH1FFAR1
SCHEMBL29415687 0.80 PIN1 (0.37) VNN1PIN1
SCHEMBL19207556 0.80 PIN1 (0.37) VNN1PIN1
SCHEMBL15956955 0.79 RNASEH1 (0.50) LMNA
SCHEMBL15964735 0.79 HCAR2 (0.53) BRS3IDH1LMNA
SCHEMBL22737593 0.76 HRH3 (0.47) BRS3HRH3VNN1PIN1IDH1
SCHEMBL27555758 0.73 FFAR1 (0.49) VNN1IDH1LMNAFFAR1FFAR4
SCHEMBL24991273 0.72 GLS (0.47) BRS3HRH3VNN1IDH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
WO-2020239074-A1 BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-12-03 WO disclosed
US-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 US disclosed
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 US disclosed
EP-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB BRS3 2247/4885HRH3 3739/4885VNN1 4356/4885
US-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB BRS3 2247/4885HRH3 3739/4885VNN1 4356/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB BRS3 2247/4885HRH3 3739/4885VNN1 4356/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB BRS3 2247/4885HRH3 3739/4885VNN1 4356/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB BRS3 2247/4885HRH3 3739/4885VNN1 4356/4885
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB BRS3 2247/4885HRH3 3739/4885VNN1 4356/4885

“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.