SCHEMBL1720863

SCHEMBL1720863

Nc1cccc2c1C1CCCCN1C2=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 19/20 0.50
▸ CDK5R1 Q15078 19/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ DYRK1A Q13627 7/20 0.48
▸ CDK4 P11802 1/20 0.47

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
SCHEMBL5666976 0.95 CDK4 (0.51) CDK5CDK5R1CDK1GSK3AGSK3B
SCHEMBL1720948 0.81 CDK5 (0.51) CDK5CDK5R1CDK1GSK3AGSK3B
SCHEMBL2120620 0.78 CDK5 (0.46) CDK5CDK5R1CDK1GSK3AGSK3B
SCHEMBL5669475 0.77 CDK4 (0.51) CDK5CDK5R1CDK1GSK3AGSK3B
SCHEMBL20285792 0.77 CDK5 (0.53) CDK5CDK5R1CDK1GSK3AGSK3B
SCHEMBL12714645 0.76 HTR2B (0.43) —
SCHEMBL2124864 0.75 CDK5 (0.55) CDK5CDK5R1DYRK1ACDK4
SCHEMBL7679434 0.74 ALDH1A1 (0.53) CDK5CDK5R1CDK1GSK3AGSK3B
SCHEMBL6131157 0.72 CCNA2 (0.51) CDK5CDK5R1CDK1GSK3AGSK3B
SCHEMBL14549477 0.72 CDK5 (0.40) CDK5CDK5R1DYRK1ACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406261-B1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-01-09 — — EP disclosed
EP-2406261-B1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-01-09 — — EP disclosed
EP-2406261-B1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-01-09 — — EP disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 — — US disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 — — US disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 — — US disclosed
US-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2012-04-19 — — US disclosed
EP-2406261-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2012-01-18 — — EP disclosed
EP-2406261-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2012-01-18 — — EP disclosed
WO-2010103240-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-09-16 — — WO disclosed
WO-2010103240-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-09-16 — — WO disclosed
WO-2010103240-A1 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONE DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-09-16 — — 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-20120095022-A1 DERIVATIVES OF 10-AMINO-1,2,3,4-TETRAHYDROPYRIDO[2,1-A]ISOINDOL-6(10BH)-ONES, METHOD FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF HRH2, HRH1, SULT2A1 CDK5 1366/4885CDK5R1 751/4885CDK1 513/4885

“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.

Send feedback