SCHEMBL845036

SCHEMBL845036

CC(C)(C)OC(=O)N1CCC(F)(C=CC#N)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.37
USP30 Q70CQ3 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B2 P19099 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
RORC P51449 3/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
SCD5 Q86SK9 1/20 0.34
HDAC2 Q92769 1/20 0.34
GPR183 P32249 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
SCHEMBL3761873 1.00 USP2 (0.37) USP2SMN1; SMN2CTSKUSP30MEN1
SCHEMBL15983890 0.92 USP2 (0.42) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL14823740 0.92 USP2 (0.42) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL846264 0.80 USP2 (0.42) USP2SMN1; SMN2USP30CYP11B2RORC
SCHEMBL3965738 0.80 USP2 (0.43) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL3965735 0.80 USP2 (0.43) USP2SMN1; SMN2CTSKMEN1ALDH1A1
SCHEMBL26925845 0.79 USP2 (0.41) USP2SMN1; SMN2USP30CYP11B2RORC
SCHEMBL26945083 0.79 USP2 (0.41) USP2SMN1; SMN2USP30CYP11B2RORC
SCHEMBL2378427 0.77 USP2 (0.42) USP2SMN1; SMN2CTSKUSP30MEN1
SCHEMBL19191216 0.75 MEN1 (0.40) USP2SMN1; SMN2CTSKMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 US disclosed
EP-2432555-B1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2014-04-30 EP disclosed
EP-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed
WO-2010135650-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-11-25 WO disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 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 (2 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 USP2 2875/4885SMN1; SMN2 4142/4885CTSK 3182/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 USP2 2875/4885SMN1; SMN2 4142/4885CTSK 3182/4885

“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.