SCHEMBL3229742

SCHEMBL3229742

CNC(=O)CC(c1c[nH]c2ncccc12)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.44
DBF4 Q9UBU7 6/20 0.44
OPRL1 P41146 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MAP4K4 O95819 3/20 0.40
PIM1 P11309 3/20 0.40
PRKACA P17612 3/20 0.40
FLT3 P36888 3/20 0.40
GSK3B P49841 3/20 0.40
JAK3 P52333 3/20 0.40
HIPK2 Q9H2X6 3/20 0.40
PLK4 O00444 1/20 0.40
JAK2 O60674 1/20 0.40
CCNB2 O95067 1/20 0.40
INSR P06213 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
CCNB1 P14635 1/20 0.40

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
SCHEMBL3230396 0.81 OPRL1 (0.42) CDC7DBF4OPRL1OPRM1OPRK1
SCHEMBL27750352 0.80 OPRL1 (0.46) CDC7DBF4OPRL1OPRM1OPRK1
SCHEMBL3215106 0.76 MGAM (0.46) MAP2K1CAMKK2GRM8GRM4GPR84
SCHEMBL3229435 0.73 KCNA5 (0.47) MAP2K1CAMKK2GRM8GRM4GPR84
SCHEMBL27791637 0.72 OPRL1 (0.41) CDC7DBF4OPRL1OPRM1OPRK1
SCHEMBL25590927 0.70 ADORA2A (0.56) CDC7MAP4K4PIM1PRKACAFLT3
SCHEMBL15142332 0.69 GRM8 (0.49) MAP2K1CAMKK2GRM8GRM4GPR84
SCHEMBL16766331 0.68 HSD11B1 (0.41) OPRL1OPRM1OPRK1MAP2K1JAK3
SCHEMBL15245433 0.68 HSD11B1 (0.41) OPRL1OPRM1OPRK1MAP2K1JAK3
SCHEMBL3214908 0.68 CDC7 (0.42) CDC7DBF4OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101321752-A 3-amino-2-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (CH) 2008-12-10 CN 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 CDC7 2146/4885DBF4 3655/4885OPRL1 1067/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 CDC7 2146/4885DBF4 3655/4885OPRL1 1067/4885

“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.