SCHEMBL7014654

SCHEMBL7014654

[C-]#[N+]C1CN(C(=O)OC(C)(C)C)C(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
BUB1 O43683 1/20 0.33
NR1H2 P55055 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ELANE P08246 1/20 0.32
RORC P51449 2/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL1835211 0.75 PDE4B (0.37) DDB1CRBNBUB1NR1H2KDM4E
SCHEMBL7018328 0.74 CTSK (0.36) DDB1CRBNBUB1NR1H2KDM4E
SCHEMBL17536013 0.68 CHRM2 (0.39) BUB1NR1H2CHRM2CHRM1CHRM3
SCHEMBL17536005 0.68 BUB1 (0.39) DDB1CRBNBUB1NR1H2KDM4E
SCHEMBL22613608 0.66 USP2 (0.39) DDB1CRBNBUB1NR1H2KDM4E
SCHEMBL24031587 0.65 CHRM2 (0.42) DDB1CRBNBUB1NR1H2CHRM2
SCHEMBL19794726 0.65 EPHX2 (0.41) BUB1NR1H2KDM4ECHRM2CHRM1
SCHEMBL23537583 0.65 CHRM2 (0.42) DDB1CRBNBUB1NR1H2CHRM2
SCHEMBL12748274 0.65 NR1H2 (0.50) DDB1CRBNNR1H2KDM4ECHRM2
SCHEMBL25219495 0.65 CHRM2 (0.42) DDB1CRBNBUB1NR1H2CHRM2

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-20170217991-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES PFIZER INC. 2017-08-03 US disclosed
US-9518060-B2 Substituted pyrrolo[3,4-c]pyrazoles as PKC kinase inhibitors PFIZER INC. (US) 2016-12-13 US disclosed
US-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PFIZER INC. 2015-04-09 US disclosed
US-8877761-B2 N-pyrimidin-4-yl-3-amino-pyrrolo[3,4-c]pyrazole derivatives as PKC kinase inhibitors PFIZER INC. (US) 2014-11-04 US disclosed
US-20120202809-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PFIZER INC. 2012-08-09 US disclosed
US-8183255-B2 N-pyrimidin-4-yl-3-amino-pyrrolo[3,4-c]pyrazole derivatives as PKC kinase inhibitors PFIZER, INC. (US) 2012-05-22 US disclosed
US-20100130501-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES PFIZER INC. 2010-05-27 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 (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-20170217991-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES INSR, IAPP, GPR119 DDB1 912/4885CRBN 836/4885BUB1 1141/4885
US-20100130501-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H, 6H) CARBALDEHYDE DERIVATIVES DPP3, IAPP, GPR119 DDB1 655/4885CRBN 1217/4885BUB1 1054/4885
US-20120202809-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PRKCB, PRKCA, PRKCE DDB1 1577/4885CRBN 1779/4885BUB1 822/4885
US-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PRKCB, PRKCA, PRKCQ DDB1 3071/4885CRBN 1771/4885BUB1 1045/4885

“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.