SCHEMBL3218858

SCHEMBL3218858

COC(=O)C(C(=O)OC)C(c1cccnc1)c1c[nH]c2nccc(OC)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CCNT1 O60563 3/20 0.41
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CDK9 P50750 3/20 0.41
CCNA1 P78396 3/20 0.41
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
AHR P35869 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
DYRK1A Q13627 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3229851 0.87 GAA (0.40) CYP3A4CCNT1CCNA2CDK2CDK9
SCHEMBL3225955 0.87 KMT2A (0.40) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3224713 0.83 CCNT1 (0.42) CYP3A4CCNT1CCNA2CDK2CDK9
SCHEMBL3215101 0.82 MAP2K1 (0.48) CDK2CDK5CDK5R1KDM4EALDH1A1
SCHEMBL3224665 0.82 JAK2 (0.39) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL13431332 0.81 PDE4D (0.47) CYP3A4CCNT1CCNA2CDK2CDK9
SCHEMBL13431334 0.78 PDE4D (0.44) CYP3A4CCNT1CCNA2CDK2CDK9
SCHEMBL3217996 0.76 PKM (0.41) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3224683 0.75 AXL (0.35) CYP3A4CCNT1CCNA2CDK2CDK9
SCHEMBL3227856 0.74 SLC6A2 (0.42) CYP3A4CCNT1CCNA2CDK2CDK9

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-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 CYP3A4 33/4885CCNT1 149/4885CCNA2 154/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 CYP3A4 33/4885CCNT1 149/4885CCNA2 154/4885

“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.