SCHEMBL2300680

SCHEMBL2300680

CNC(=O)C=C(c1ccccc1)c1ccc2[nH]nc(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
MAPK1 P28482 10/20 0.39
MAPK3 P27361 5/20 0.39
YTHDC1 Q96MU7 1/20 0.39
CDK7 P50613 1/20 0.38
CSNK1D P48730 1/20 0.38
FLT3 P36888 1/20 0.37
GRM4 Q14833 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36

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
SCHEMBL2302746 0.88 DYRK1A (0.39) MAPK1MAPK3CDK7
SCHEMBL2301853 0.87 JAK2 (0.42) JAK2JAK1MAPK1MAPK3YTHDC1
SCHEMBL12427150 0.86 JAK2 (0.40) JAK2JAK1MAPK1MAPK3CDK7
SCHEMBL2304594 0.84 MAPK1 (0.41) JAK2JAK1MAPK1CDK7
SCHEMBL2303898 0.81 KDM4E (0.42) JAK2JAK1MAPK1MAPK3CTNNB1
SCHEMBL2303902 0.81 KDM4E (0.42) JAK2JAK1MAPK1MAPK3CTNNB1
SCHEMBL13157452 0.81 KDM4E (0.42) JAK2JAK1MAPK1MAPK3CTNNB1
SCHEMBL2302185 0.77 MAPK1 (0.43) MAPK1
SCHEMBL2302182 0.77 MAPK1 (0.43) MAPK1
SCHEMBL12427655 0.77 CTNNB1 (0.57) JAK2CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101316818-B 3-amino-1-arylpropyl indoles and aza-substituted indoles HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
CN-101316818-A 3-amino-1-arylpropyl indoles and aza-substituted indoles HOFFMANN LA ROCHE (CH) 2008-12-03 CN disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR JAK2 353/4885JAK1 621/4885MAPK1 3379/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR JAK2 353/4885JAK1 621/4885MAPK1 3379/4885

“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.