SCHEMBL3214908

SCHEMBL3214908

CC1(C)OC(=O)C(C(c2c[nH]c3ncccc23)C2CCCCC2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 16/20 0.42
DBF4 Q9UBU7 8/20 0.42
CDK1 P06493 4/20 0.39
PRKACA P17612 3/20 0.39
GSK3B P49841 3/20 0.39
HIPK2 Q9H2X6 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
MAP4K4 O95819 2/20 0.39
INSR P06213 2/20 0.39
FLT1 P17948 2/20 0.39
TYK2 P29597 2/20 0.39
KDR P35968 2/20 0.39
ITK Q08881 2/20 0.39
PIM3 Q86V86 2/20 0.39
CCNB1 P14635 2/20 0.39
PLK4 O00444 1/20 0.39
JAK2 O60674 1/20 0.39
CCNB2 O95067 1/20 0.39
CSF1R P07333 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
SCHEMBL3227011 0.78 CDC7 (0.41) CDC7DBF4CHEK1MAP2K1DYRK1A
SCHEMBL2073846 0.71 HTR2A (0.38)
SCHEMBL27750352 0.69 OPRL1 (0.46) CDC7DBF4CDK1PRKACAGSK3B
SCHEMBL3230396 0.68 OPRL1 (0.42) CDC7DBF4CDK1PRKACAGSK3B
SCHEMBL3229742 0.68 CDC7 (0.44) CDC7DBF4CDK1PRKACAGSK3B
SCHEMBL19826342 0.66 AXL (0.44) CDC7CDK1PRKACAGSK3BHIPK2
SCHEMBL12523949 0.66 AXL (0.44) CDC7CDK1PRKACAGSK3BHIPK2
SCHEMBL27590571 0.64 AXL (0.51) CDC7PRKACAGSK3BHIPK2IRAK4
SCHEMBL820352 0.64 AXL (0.55) CDC7PRKACAGSK3BHIPK2IRAK4
SCHEMBL30068926 0.64 AXL (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 13 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
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 3655/4885CDK1 267/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 CDC7 2146/4885DBF4 3655/4885CDK1 267/4885

“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.