SCHEMBL18176879

SCHEMBL18176879

Cc1cnn(COP(=O)(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
PLAA Q9Y263 1/20 0.39
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KLKB1 P03952 7/20 0.36
GAA P10253 3/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.33
PTGS1 P23219 1/20 0.33
ACP1 P24666 1/20 0.33
PDE4A P27815 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
NOS1 P29475 1/20 0.33
PNPO Q9NVS9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL22960964 0.85 ALPI (0.37) ALPIALPGPLAALMNAHTT
SCHEMBL20191322 0.80 S1PR1 (0.34) SMN1; SMN2GAAKMT2AALDH1A1CYP2C19
SCHEMBL18170040 0.79 MAPT (0.38) LMNAKMT2AALDH1A1
SCHEMBL18169984 0.79
SCHEMBL18169860 0.79
SCHEMBL18170086 0.76
SCHEMBL18170087 0.72 GAA (0.31) GAA
SCHEMBL20415636 0.70 S1PR1 (0.32)
SCHEMBL15034176 0.70 KLKB1 (0.34) ALPIALPGPLAALMNAHTT
SCHEMBL16181422 0.69 MTOR (0.35) ESR1PTGS1ACP1PDE4AP2RX1

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
US-11370808-B2 Pyrazole compounds and methods for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-06-28 US disclosed
US-10947216-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-03-16 US disclosed
EP-3286181-B1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS INC (US) 2021-01-27 EP disclosed
US-20190153006-A1 PYRAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2019-05-23 US disclosed
US-10208075-B2 Pyrazole compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-20180208613-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2018-07-26 US disclosed
US-20180208613-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2018-07-26 US disclosed
US-20180208612-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2018-07-26 US disclosed
US-9982000-B2 Pyrazole compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9982000-B2 Pyrazole compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING MIDCAP FINANCIAL TRUST 2018-04-26 US disclosed
US-20160311839-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2016-10-27 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 (8 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-10947216-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ALPI 2894/4885ALPG 4291/4885PLAA 817/4885
US-11370808-B2 Pyrazole compounds and methods for making and using the compounds IRAK3, IRAK1, IRAK2 ALPI 2771/4885ALPG 4059/4885PLAA 1116/4885
US-20190153006-A1 PYRAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 ALPI 2771/4885ALPG 4059/4885PLAA 1116/4885
US-20180208613-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 ALPI 2676/4885ALPG 4099/4885PLAA 1125/4885
US-10208075-B2 Pyrazole compounds and method for making and using the compounds IRAK3, IRAK1, IRAK2 ALPI 2676/4885ALPG 4099/4885PLAA 1125/4885
US-20180208612-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 ALPI 2676/4885ALPG 4099/4885PLAA 1125/4885
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALPI 2894/4885ALPG 4291/4885PLAA 817/4885
US-20160311839-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 ALPI 2676/4885ALPG 4099/4885PLAA 1125/4885

“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.