SCHEMBL19224646

SCHEMBL19224646

COC(=O)c1nc(F)c(CBr)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CES1 P23141 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TNF P01375 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
NR2F2 P24468 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 1/20 0.30
KLF5 Q13887 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL26619213 0.81 ALDH1A1 (0.41) ALDH1A1NPSR1TSHRCES1L3MBTL1
SCHEMBL19224643 0.76 ALDH1A1 (0.50) ALDH1A1CES1L3MBTL1MAPTKMT2A
SCHEMBL19224644 0.75 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRMAPTKMT2A
SCHEMBL18039456 0.69 NPSR1 (0.47) ALDH1A1NPSR1TSHRL3MBTL1MAPT
SCHEMBL7367074 0.68 CES1 (0.41) ALDH1A1NPSR1TSHRCES1MAPT
SCHEMBL19948875 0.66 ALDH1A1 (0.40) ALDH1A1NPSR1TSHRMAPK1CES1
SCHEMBL12894510 0.65 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRL3MBTL1MAPT
SCHEMBL19948901 0.64 ALDH1A1 (0.38) ALDH1A1NPSR1CES1MAPTKMT2A
SCHEMBL2251389 0.64 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1L3MBTL1MAPT
SCHEMBL13819563 0.63 ALDH1A1 (0.47) ALDH1A1NPSR1TSHRL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994190-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-118994191-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-114437105-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-10-11 CN 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
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-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
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 (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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885NPSR1 4297/4885TSHR 4584/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885NPSR1 4297/4885TSHR 4584/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885NPSR1 4297/4885TSHR 4584/4885

“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.