SCHEMBL16622327

SCHEMBL16622327

CCOC(=O)n1nc(C)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
ADORA1 P30542 1/20 0.36
GPR119 Q8TDV5 1/20 0.32
NR1H2 P55055 1/20 0.31
FAAH O00519 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL596325 0.91 ADORA1 (0.38) C5AR1ADORA1NR1H2
SCHEMBL19312086 0.86 C5AR1 (0.35) C5AR1ADORA1
SCHEMBL3331339 0.84 C5AR1 (0.34) C5AR1ADORA1
SCHEMBL1206431 0.81 C5AR1 (0.41) C5AR1ADORA1NR1H2
SCHEMBL19305433 0.81 C5AR1 (0.33) C5AR1
SCHEMBL24272891 0.80 C5AR1 (0.32) C5AR1
SCHEMBL17724526 0.80 C5AR1 (0.32) C5AR1
SCHEMBL3458185 0.79 RAB9A (0.37) C5AR1ADORA1
SCHEMBL23837255 0.79 C5AR1 (0.33) C5AR1
SCHEMBL17872165 0.79 C5AR1 (0.38) C5AR1

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 4 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-8999981-B2 3-amido-pyrrolo[3,4-C]pyrazole-5(1H, 4H,6H) carbaldehyde derivatives PFIZER INC. (US) 2015-04-07 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-20170217991-A1 NOVEL 3-AMINO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES INSR, IAPP, GPR119 C5AR1 1187/4885ADORA1 69/4885GPR119 3/4885
US-20150099743-A1 NOVEL N-PYRIMIDIN-4-YL-3-AMINO-PYRROLO[3,4-C]PYRAZOLE DERIVATIVES AS PKC KINASE INHIBITORS PRKCB, PRKCA, PRKCQ C5AR1 2594/4885ADORA1 312/4885GPR119 22/4885

“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.