SCHEMBL19254989

SCHEMBL19254989

COC(=O)c1nc(C#N)c(Cc2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
RIPK1 Q13546 1/20 0.47
GAA P10253 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
CRHBP P24387 3/20 0.45
CRHR2 Q13324 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HK1 P19367 1/20 0.44
CYP2C19 P33261 1/20 0.44
HKDC1 Q2TB90 1/20 0.44

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
SCHEMBL19224653 0.88 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19224643 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL22272749 0.70 POLB (0.62) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28935913 0.69 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL15728786 0.68 ALDH1A1 (0.60) ALDH1A1MAPTTRPM8KDM4EHPGD
SCHEMBL1656660 0.67 EGLN2 (0.67) RNASEH1
SCHEMBL28706141 0.66 MAPT (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8339659 0.65 TRPM8 (0.73) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7462671 0.65 L3MBTL1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5804266 0.64 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ALMNA

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-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US 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
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
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 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 (5 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 4405/4885MAPT 1843/4885MEN1 1080/4885
US-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885MAPT 1843/4885MEN1 1080/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885MAPT 1843/4885MEN1 1080/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885MAPT 1843/4885MEN1 1080/4885
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB ALDH1A1 4405/4885MAPT 1843/4885MEN1 1080/4885

“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.