SCHEMBL1204616

SCHEMBL1204616

CCOC(=O)n1nc2c(c1NC(=O)[C@@H]1C[C@H]1c1ccccc1)CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.38
C5AR1 P21730 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT2 Q96PD7 2/20 0.37
MGAT2 Q10469 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NAMPT P43490 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
NTRK1 P04629 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL1204617 1.00 DEGS1 (0.38) DEGS1C5AR1MEN1KMT2ADGAT2
SCHEMBL1204655 0.90 MEN1 (0.40) DEGS1MEN1KMT2AHTTLMNA
SCHEMBL1204657 0.90 MEN1 (0.40) DEGS1MEN1KMT2AHTTLMNA
SCHEMBL1204604 0.84 C5AR1 (0.41) C5AR1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL12879076 0.83 C5AR1 (0.38) C5AR1MEN1KMT2AHTTLMNA
SCHEMBL12879122 0.82 MEN1 (0.41) DEGS1MEN1KMT2AHTTLMNA
SCHEMBL12879077 0.82 C5AR1 (0.37) C5AR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12879080 0.82 C5AR1 (0.37) C5AR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1206356 0.81 SMN1; SMN2 (0.37) C5AR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1204692 0.80 C5AR1 (0.39) C5AR1MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979356-B1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PROD INC (US) 2013-09-18 EP disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 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 (1 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-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 DEGS1 4656/4885C5AR1 3945/4885MEN1 2408/4885

“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.