SCHEMBL3229386

SCHEMBL3229386

ClCCC(c1ccccc1)n1ccc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
P2RX7 Q99572 1/20 0.41
CYP2C19 P33261 2/20 0.40
PARP1 P09874 1/20 0.36
PKM P14618 1/20 0.35
ENPP1 P22413 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
MTNR1A P48039 1/20 0.33
CYP17A1 P05093 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL9203069 0.83 SLC6A4 (0.43) SLC6A2SLC6A4P2RX7CYP2C19PARP1
SCHEMBL3226894 0.83 SLC6A2 (0.66) SLC6A2SLC6A4P2RX7MTNR1A
SCHEMBL3224646 0.81 SLC6A2 (0.39) SLC6A2SLC6A4CYP2C19MEN1CYP1A2
SCHEMBL3235118 0.80 ENPP3 (0.39) SLC6A2SLC6A4ENPP1CYP17A1
SCHEMBL2073887 0.78 SLC6A4 (0.67) SLC6A2SLC6A4
SCHEMBL3227906 0.78 SLC6A2 (0.43) SLC6A2SLC6A4P2RX7MEN1KMT2A
SCHEMBL3225487 0.78 SLC6A2 (0.43) SLC6A2SLC6A4P2RX7MEN1KMT2A
SCHEMBL9206196 0.77 CYP2C19 (0.40) SLC6A2SLC6A4P2RX7CYP2C19PARP1
SCHEMBL2586507 0.77 P2RX7 (0.50) P2RX7CYP2C19PARP1PKMENPP1
SCHEMBL3235062 0.74 SLC6A2 (0.53) SLC6A2SLC6A4P2RX7CDC7CDK2

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
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 SLC6A2 2283/4885SLC6A4 2174/4885P2RX7 200/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 SLC6A2 2283/4885SLC6A4 2174/4885P2RX7 200/4885

“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.