SCHEMBL4130816

SCHEMBL4130816

CN1CCC(C(=O)N2Cc3c(n[nH]c3NC(=O)C3CCC3)C2(C)C)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.68
CDK2 P24941 20/20 0.68
CCNA1 P78396 20/20 0.68
CCNT1 O60563 1/20 0.50
ULK1 O75385 1/20 0.50
PRKD3 O94806 1/20 0.50
PAK4 O96013 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
PHKG2 P15735 1/20 0.50
ERCC2 P18074 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
MAPK3 P27361 1/20 0.50
CLK1 P49759 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK7 P50613 1/20 0.50

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
SCHEMBL5097963 0.82 CCNA2 (0.68) CCNA2CDK2CCNA1CCNT1ULK1
SCHEMBL5097973 0.81 CCNA2 (0.52) CCNA2CDK2CCNA1CCNT1ULK1
SCHEMBL3458048 0.81 CCNA2 (0.71) CCNA2CDK2CCNA1
SCHEMBL2917576 0.80 CCNA2 (0.46) CCNA2CDK2CCNA1CCNT1ULK1
SCHEMBL2921913 0.72 CCNA2 (0.46) CCNA2CDK2CCNA1
SCHEMBL2922918 0.71 CCNA2 (0.41) CCNA2CDK2CCNA1GSK3AGSK3B
SCHEMBL22272113 0.70 CCNA2 (0.78) CCNA2CDK2CCNA1CCNT1ULK1
SCHEMBL5097967 0.70 CCNA2 (0.64) CCNA2CDK2CCNA1CCNT1ULK1
SCHEMBL2924215 0.69 JAK1 (0.41) CCNA2CDK2CCNA1GSK3AGSK3B
Pha-793887 SCHEMBL5110328 0.67 CCNA2 (1.00) CCNA2CDK2CCNA1CCNT1ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575954-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-03 EP claimed
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 US claimed
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-17 US claimed
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-10 US claimed
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-26 US claimed

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-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885
US-20130012507-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885
US-20090082346-A1 Substituted Pyrrolo-Pyrazole Derivatives as Kinase Inhibitors CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885
US-20130017170-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 CCNA2 117/4885CDK2 3/4885CCNA1 41/4885

“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.