SCHEMBL4134038

SCHEMBL4134038

CC(C)(C)OC(=O)N1CC(C#N)=C(O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.37
NR1H2 P55055 1/20 0.33
GPR119 Q8TDV5 7/20 0.32
ESR2 Q92731 1/20 0.32
BUB1 O43683 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 2/20 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
SCHEMBL17536013 0.73 CHRM2 (0.39) NR1H2GPR119ESR2BUB1USP2
SCHEMBL17536005 0.73 BUB1 (0.39) CTSKNR1H2ESR2BUB1USP2
SCHEMBL626936 0.71 ESR2 (0.49) CTSKNR1H2GPR119ESR2USP2
SCHEMBL2493397 0.70 NR1H2 (0.41) CTSKNR1H2GPR119ESR2USP2
SCHEMBL23537542 0.69 NR1H2 (0.35) CTSKNR1H2ESR2BUB1USP2
SCHEMBL23537540 0.69 NR1H2 (0.35) CTSKNR1H2ESR2BUB1USP2
SCHEMBL7415947 0.67 NR1H2 (0.50) CTSKNR1H2GPR119ESR2USP2
SCHEMBL7018328 0.67 CTSK (0.36) CTSKNR1H2GPR119BUB1MEN1
SCHEMBL26884952 0.66 USP2 (0.42) CTSKNR1H2BUB1USP2SMN1; SMN2
SCHEMBL31079055 0.66 CTSK (0.44) CTSKGPR119USP2SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP disclosed
EP-1575954-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-03 EP disclosed
US-8785448-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-22 US disclosed
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 US disclosed
US-8557845-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-8557857-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-8481585-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-17 US disclosed
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-10 US disclosed
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-26 US disclosed
US-7407971-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2008-08-05 US disclosed
US-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-04 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 (5 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-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors CCNI, CDK1, CDK2 CTSK 1511/4885NR1H2 3726/4885GPR119 2252/4885
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CTSK 1511/4885NR1H2 3726/4885GPR119 2252/4885
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CTSK 1511/4885NR1H2 3726/4885GPR119 2252/4885
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors CCNI, CDK1, CDK2 CTSK 1511/4885NR1H2 3726/4885GPR119 2252/4885
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CTSK 1511/4885NR1H2 3726/4885GPR119 2252/4885

“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.