SCHEMBL18909336

SCHEMBL18909336

CCC(=O)N1CCC(N(C)CCC#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.39
NPY5R Q15761 2/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
PGR P06401 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 3/20 0.35
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL26148261 0.85 DPP4 (0.40) JAK2JAK3JAK1
SCHEMBL19275282 0.83 EPHX2 (0.44) EPHX2NPY5REPHX1ALDH1A1
SCHEMBL21214451 0.79 KMT2A (0.47) JAK2JAK3JAK1
SCHEMBL26148275 0.78 MEN1 (0.43) EPHX2JAK2CYP2C9ALDH1A1JAK1
SCHEMBL18909116 0.78 NPC1 (0.44) EPHX2NPY5RALDH1A1
SCHEMBL22030909 0.77 EPHX2 (0.38) EPHX2NPY5RJAK2PGRCYP2D6
SCHEMBL24584608 0.77 ALDH1A1 (0.36) NPY5RALDH1A1
SCHEMBL21281068 0.76 NPY5R (0.38) EPHX2NPY5RJAK2PGRCYP2D6
SCHEMBL17285868 0.76 NMT1 (0.44) JAK2JAK3ALDH1A1
SCHEMBL20160547 0.76 JAK2 (0.43) JAK2JAK3ALDH1A1JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-26 US disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-01-14 US disclosed
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-11-14 US disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 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 (4 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-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof JAK2, JAK1, JAK3 EPHX2 2212/4885NPY5R 1899/4885JAK2 1/4885
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 EPHX2 1119/4885NPY5R 2061/4885JAK2 2/4885
US-20190345165-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 EPHX2 2212/4885NPY5R 1899/4885JAK2 1/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 EPHX2 1730/4885NPY5R 2990/4885JAK2 1/4885

“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.