SCHEMBL18170058

SCHEMBL18170058

CCCNC(=O)N1C[CH]C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 3/20 0.43
CYP2C19 P33261 2/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
BCHE P06276 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL23149339 0.83
SCHEMBL5572067 0.80 KMT2A (0.54) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL3705956 0.77 KMT2A (0.59) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL24664428 0.77 KMT2A (0.59) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL1651682 0.75 LMNA (0.61) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL10272740 0.73 TDP1 (0.62) KMT2ALMNANPSR1MEN1CYP2C19
Hydrochloric Acid SCHEMBL10806956 0.73 LMNA (0.59) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL5238995 0.72 KMT2A (0.54) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL2760109 0.72 HTT (0.77) KMT2ALMNANPSR1MEN1HTT
SCHEMBL10818831 0.72 KMT2A (0.55) KMT2ALMNANPSR1MEN1CYP2C19

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 11 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
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-10208074-B2 Pyrazole compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-02-19 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-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
EP-3286181-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172560-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2016-10-27 WO 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 (7 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-11370808-B2 Pyrazole compounds and methods for making and using the compounds IRAK3, IRAK1, IRAK2 KMT2A 1935/4885LMNA 2091/4885NPSR1 4345/4885
US-10208074-B2 Pyrazole compounds and method for making and using the compounds IRAK3, IRAK1, IRAK2 KMT2A 1959/4885LMNA 2059/4885NPSR1 4160/4885
US-20190153006-A1 PYRAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 KMT2A 1935/4885LMNA 2091/4885NPSR1 4345/4885
US-20180208613-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 KMT2A 1959/4885LMNA 2059/4885NPSR1 4160/4885
US-10208075-B2 Pyrazole compounds and method for making and using the compounds IRAK3, IRAK1, IRAK2 KMT2A 1959/4885LMNA 2059/4885NPSR1 4160/4885
US-20180208612-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 KMT2A 1959/4885LMNA 2059/4885NPSR1 4160/4885
US-20160311839-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 KMT2A 1959/4885LMNA 2059/4885NPSR1 4160/4885

“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.