SCHEMBL3214951

SCHEMBL3214951

CNC(=O)CC(c1cccnc1)c1c[nH]c2nccc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.44
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LRRK2 Q5S007 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
MAPK13 O15264 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
PRKCG P05129 1/20 0.37

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
SCHEMBL3230673 0.91 LRRK2 (0.40) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL3222528 0.89 PKM (0.42) PKMLRRK2CDC7PLK4CHEK1
SCHEMBL13431371 0.88 PKM (0.39) KCNA5PKMLRRK2CDC7PLK4
SCHEMBL13431334 0.86 PDE4D (0.44) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL3229435 0.83 KCNA5 (0.47) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL3214934 0.82 SLC6A4 (0.44) KCNA5PKMLRRK2ROCK2CDK2
SCHEMBL27729852 0.81 LRRK2 (0.40) KCNA5PKMLMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3231571 0.81 SLC6A4 (0.43) KCNA5PKMLRRK2ROCK2CDK2
SCHEMBL3217996 0.79 PKM (0.41) KCNA5PKMLMNAHTTSMN1; SMN2
SCHEMBL3224972 0.77 HPGD (0.41) KCNA5LMNAHPGDALDH1A1CDK2

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 7 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-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
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 KCNA5 2343/4885PKM 2247/4885LMNA 3077/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 KCNA5 2343/4885PKM 2247/4885LMNA 3077/4885

“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.