SCHEMBL3230396

SCHEMBL3230396

CNCCC(c1c[nH]c2ncccc12)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
CDC7 O00311 13/20 0.42
CDK1 P06493 4/20 0.42
PRKACA P17612 4/20 0.42
GSK3B P49841 4/20 0.42
HIPK2 Q9H2X6 4/20 0.42
MKNK2 Q9HBH9 4/20 0.42
IRAK4 Q9NWZ3 4/20 0.42
MAP4K4 O95819 3/20 0.42
CCNB2 O95067 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
INSR P06213 2/20 0.42
FLT1 P17948 2/20 0.42
TYK2 P29597 2/20 0.42
KDR P35968 2/20 0.42
ITK Q08881 2/20 0.42
PIM3 Q86V86 2/20 0.42

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
SCHEMBL27750352 0.83 OPRL1 (0.46) OPRL1OPRM1OPRK1CDC7CDK1
SCHEMBL2074732 0.82 CYP2D6 (0.57) GPR84BCHEMAPK1
SCHEMBL3229742 0.81 CDC7 (0.44) OPRL1OPRM1OPRK1CDC7CDK1
SCHEMBL2073706 0.76 HDAC3 (0.44) BCHE
SCHEMBL3226153 0.74 SLC6A4 (0.67) CDC7GPR84DBF4RETCDK2
SCHEMBL3222298 0.74 SLC6A4 (0.67) CDC7GPR84DBF4RETCDK2
SCHEMBL3222313 0.74 SLC6A4 (0.67) CDC7GPR84DBF4RETCDK2
SCHEMBL3226994 0.71 SLC6A4 (0.56) CDC7GPR84DBF4RETCDK2
SCHEMBL13451646 0.71 SLC6A2 (0.39) GPR84BCHEMAPK1
SCHEMBL3233544 0.71 SLC6A4 (0.55) CDC7PRKACAGSK3BHIPK2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP claimed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP claimed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO claimed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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 (2 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-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof CNKSR1, AR, CYP3A43 OPRL1 1067/4885OPRM1 1077/4885OPRK1 577/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 OPRL1 1067/4885OPRM1 1077/4885OPRK1 577/4885

“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.