SCHEMBL1616735

SCHEMBL1616735

NC=CCc1ccc2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.44
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
FLT3 P36888 2/20 0.40
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
BCR P11274 1/20 0.40
TBXAS1 P24557 1/20 0.39
SMAD3 P84022 1/20 0.39
PYGL P06737 2/20 0.38
METAP2 P50579 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL1617580 0.89 PLG (0.43) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL939710 0.80 NHERF1 (0.50) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL13554359 0.79 KDM4E (0.60) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL1616512 0.75 ALDH1A1 (0.49) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL22526431 0.75 CFD (0.44) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL1617180 0.73 MAPT (0.41) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL3608666 0.72 HRH4 (0.56) CFDMMP2MMP13SLC6A2SLC6A4
SCHEMBL1651087 0.72 MMP2 (0.66) CFDMMP2MMP13KDM4EITGB3
SCHEMBL3282981 0.72 FLT3 (0.73) FLT3ABL1PDGFRBKITBCR
SCHEMBL13283230 0.71 ITGB3 (0.57) MMP2MMP13ITGB3ITGA2B

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
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP disclosed
US-7923466-B2 treating in a lengthening of circadian rhythm period with 6-aminomethyl-3-phenylsulfanyl-1H-indole-2-carboxylic acid amide; for treating central nervous system diseases and mood disorders, bipolar disorder and sleep disorders, with an enzyme inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7629376-B2 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2009-12-08 US disclosed
US-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2008-01-31 US disclosed
EP-1794122-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
WO-2006023467-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 WO 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-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A3, CSNK1G3, CSNK1G1 CFD 4762/4885MMP2 2171/4885MMP13 1841/4885
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1G3, CSNK2A3, CSNK1E CFD 4666/4885MMP2 2395/4885MMP13 1856/4885

“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.