SCHEMBL3222912

SCHEMBL3222912

O=C1NCC(CCF)c2[nH]c3c(ccc4cnccc43)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 9/20 0.53
MAPKAPK2 P49137 9/20 0.41
CDK9 P50750 3/20 0.41
CDK2 P24941 2/20 0.41
MAPK1 P28482 2/20 0.41
GSK3B P49841 2/20 0.41
PLK1 P53350 2/20 0.41
CDK5 Q00535 2/20 0.41
PRKCB P05771 1/20 0.41
CDK5R1 Q15078 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL3222681 0.89 CDC7 (0.49) CDC7MAPKAPK2CDK9CDK2MAPK1
SCHEMBL3226801 0.87 CDC7 (0.54) CDC7MAPKAPK2CDK9CDK2MAPK1
SCHEMBL3224846 0.80 CDC7 (0.53) CDC7MAPKAPK2CDK9CDK2MAPK1
SCHEMBL3224855 0.76 CDC7 (0.52) CDC7MAPKAPK2CDK2MAPK1GSK3B
SCHEMBL3632140 0.71 CDC7 (0.76) CDC7MAPKAPK2CDK2MAPK1GSK3B
SCHEMBL3231573 0.69 CDC7 (1.00) CDC7MAPKAPK2CDK2MAPK1GSK3B
SCHEMBL3224703 0.69 CDC7 (0.57) CDC7MAPKAPK2CDK2MAPK1GSK3B
SCHEMBL3222669 0.69 CDC7 (0.60) CDC7MAPKAPK2CDK2MAPK1GSK3B
SCHEMBL29701496 0.69 CDC7 (0.47) CDC7MAPKAPK2CDK9CDK2MAPK1
Hydrochloric Acid SCHEMBL16872486 0.69 CDC7 (0.97) CDC7MAPKAPK2CDK9CDK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120933-B1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-07-08 EP claimed
US-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US claimed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 US claimed
EP-2120933-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP claimed
WO-2008104475-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-09-04 WO claimed
EP-2120933-B1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-07-08 EP disclosed
US-8293762-B2 Isoquinolinopyrrolopyridinones active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-23 US disclosed
US-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-04 US disclosed
EP-2120933-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008104475-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-09-04 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-20100056556-A1 ISOQUINOLINOPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS CDK2, CDK1, CDK3 CDC7 118/4885MAPKAPK2 325/4885CDK9 9/4885

“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.