SCHEMBL3220136

SCHEMBL3220136

O=C1C=C(Nc2cccc3cnccc23)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
PRKCZ Q05513 1/20 0.43
CCR4 P51679 1/20 0.43
LMNA P02545 2/20 0.42
TRPV1 Q8NER1 4/20 0.41
P2RX7 Q99572 2/20 0.40
MT-CO2 P00403 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NSD2 O96028 1/20 0.40
KMT2A Q03164 2/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3226880 0.81 PDE4B (0.52) PDE4BROCK2ROCK1PRKCZCCR4
SCHEMBL3577896 0.79 MT-CO2 (0.44) PDE4BTRPV1MT-CO2ALDH1A1MAPT
SCHEMBL4566834 0.77 PDE4B (0.44) PDE4BROCK2ROCK1PRKCZCCR4
SCHEMBL4566836 0.75 CYP1A2 (0.51) PDE4BROCK2ROCK1PRKCZCCR4
SCHEMBL9686975 0.72 MT-CO2 (0.41) MT-CO2ALDH1A1KMT2AMEN1HTT
SCHEMBL9596455 0.72 MT-CO2 (0.54) MT-CO2ALDH1A1MAPTSMN1; SMN2NSD2
SCHEMBL25175478 0.70 ADRA2A (0.70) ROCK2ROCK1CCR4LMNATRPV1
SCHEMBL3583696 0.70 TRPV1 (0.39) PDE4BTRPV1MT-CO2ALDH1A1KMT2A
SCHEMBL29565328 0.69 MT-CO2 (0.54) LMNAMT-CO2ALDH1A1MAPTKDM4E
SCHEMBL7352314 0.69 LMNA (0.49) PDE4BROCK2ROCK1PRKCZCCR4

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-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 PDE4B 1597/4885ROCK2 313/4885ROCK1 192/4885

“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.