SCHEMBL3226880

SCHEMBL3226880

O=C1C=C(Nc2cccc3cnccc23)CCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.52
PRKCZ Q05513 2/20 0.44
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
CCR4 P51679 1/20 0.42
KDM4E B2RXH2 4/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
CYP1A2 P05177 1/20 0.41
PRKCB P05771 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PRKCA P17252 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
PRKCH P24723 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCE Q02156 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
SCHEMBL4566836 0.93 CYP1A2 (0.51) PDE4BPRKCZROCK2ROCK1CCR4
SCHEMBL3220136 0.81 PDE4B (0.45) PDE4BPRKCZROCK2ROCK1CCR4
SCHEMBL4566834 0.76 PDE4B (0.44) PDE4BPRKCZROCK2ROCK1CCR4
SCHEMBL3224634 0.73 ROCK2 (0.44) PDE4BROCK2ROCK1KDM4ETRPV1
SCHEMBL7288077 0.71 ADRA2B (0.45) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL7283649 0.71 ALDH1A1 (0.48) KDM4EALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL25175478 0.70 ADRA2A (0.70) ROCK2ROCK1CCR4KDM4ECYP1A2
SCHEMBL1747457 0.69 PDE4B (1.00) PDE4B
SCHEMBL7352314 0.68 LMNA (0.49) PDE4BPRKCZROCK2ROCK1CCR4
SCHEMBL7355127 0.68 CCR4 (0.48) PDE4BROCK2ROCK1CCR4KDM4E

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 1597/4885PRKCZ 181/4885ROCK2 313/4885

“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.