SCHEMBL3225560

SCHEMBL3225560

O=C1CCCc2[nH]c3c(ccc4cnccc43)c21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.68
DYRK1A Q13627 2/20 0.50
MAPKAPK2 P49137 7/20 0.42
MAPK9 P45984 3/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL3574892 0.84 CDC7 (0.85) CDC7DYRK1AMAPKAPK2MAPK9AURKA
SCHEMBL3231573 0.81 CDC7 (1.00) CDC7DYRK1AMAPKAPK2MAPK9AURKA
Hydrochloric Acid SCHEMBL16872486 0.80 CDC7 (0.97) CDC7DYRK1AMAPKAPK2MAPK9AURKA
SCHEMBL3575771 0.78 DYRK1A (0.53) CDC7DYRK1AMAPKAPK2MAPK9
SCHEMBL3222565 0.78 CDC7 (0.57) CDC7DYRK1AAURKADAPK3JAK2
SCHEMBL3632140 0.78 CDC7 (0.76) CDC7DYRK1AMAPKAPK2MAPK9AURKA
SCHEMBL31238115 0.75 CDC7 (0.53) CDC7DYRK1AAURKADAPK3JAK2
Trifluoroacetic Acid SCHEMBL4257307 0.73 CDC7 (0.80) CDC7MAPKAPK2MAPK9BUB1CDK4
SCHEMBL4444514 0.73 DYRK1A (0.42) CDC7DYRK1AMAPKAPK2MAPK9BUB1
SCHEMBL3222669 0.70 CDC7 (0.60) CDC7DYRK1AMAPKAPK2MAPK9AURKA

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 7 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-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

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 118/4885DYRK1A 304/4885MAPKAPK2 325/4885

“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.