SCHEMBL18170101

SCHEMBL18170101

COCCOCCn1c[c]cn1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL15011647 0.81 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL15226232 0.71
SCHEMBL293470 0.68 TBXAS1 (0.34) NPC1ALDH1A1RAB9A
SCHEMBL17397420 0.67 FEN1 (0.33) SMN1; SMN2KDM4ENPC1ALDH1A1PKM
Water SCHEMBL11117585 0.67 CA2 (0.42) KDM4E
Water SCHEMBL3621110 0.67 CA2 (0.42) KDM4E
Water SCHEMBL6912453 0.67 CA2 (0.42) KDM4E
Water SCHEMBL11479512 0.67 CA2 (0.42) KDM4E
SCHEMBL14578735 0.67 CYP19A1 (0.35) SMN1; SMN2KDM4ENPC1ALDH1A1PKM
SCHEMBL16050529 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294714-A1 MORPHINAN DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Nektar Therapeutics (US) 2018-03-21 EP claimed
WO-2016182840-A1 MORPHINAN DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN NEKTAR THERAPEUTICS (US) 2016-11-17 WO claimed
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-10208075-B2 Pyrazole compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-02-19 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-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-3294714-A1 MORPHINAN DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN Nektar Therapeutics (US) 2018-03-21 EP disclosed
EP-3286181-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016182840-A1 MORPHINAN DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN NEKTAR THERAPEUTICS (US) 2016-11-17 WO 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 SMN1; SMN2 2500/4885KDM4E 1702/4885NPC1 2134/4885
US-10208074-B2 Pyrazole compounds and method for making and using the compounds IRAK3, IRAK1, IRAK2 SMN1; SMN2 2288/4885KDM4E 1769/4885NPC1 2036/4885
US-20190153006-A1 PYRAZOLE COMPOUNDS AND METHODS FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 SMN1; SMN2 2500/4885KDM4E 1702/4885NPC1 2134/4885
US-20180208613-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 SMN1; SMN2 2288/4885KDM4E 1769/4885NPC1 2036/4885
US-10208075-B2 Pyrazole compounds and method for making and using the compounds IRAK3, IRAK1, IRAK2 SMN1; SMN2 2288/4885KDM4E 1769/4885NPC1 2036/4885
US-20180208612-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 SMN1; SMN2 2288/4885KDM4E 1769/4885NPC1 2036/4885
US-20160311839-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK3, IRAK1, IRAK2 SMN1; SMN2 2288/4885KDM4E 1769/4885NPC1 2036/4885

“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.