SCHEMBL1616290

SCHEMBL1616290

CNc1ccc2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.47
MMP2 P08253 2/20 0.46
PIN1 Q13526 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PDGFRB P09619 3/20 0.44
FLT3 P36888 2/20 0.44
ABL1 P00519 1/20 0.44
KIT P10721 1/20 0.44
BCR P11274 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
PDGFRA P16234 2/20 0.43
SMAD3 P84022 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CFD P00746 1/20 0.41

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
SCHEMBL15653618 0.85 PIN1 (0.63) MMP13MMP2PIN1RXFP1NPC1
SCHEMBL27807554 0.82 MMP13 (0.49) MMP13MMP2PIN1RXFP1NPC1
SCHEMBL11960184 0.78 PIN1 (0.72) MMP13MMP2PIN1RXFP1NPC1
SCHEMBL23486667 0.78 MMP13 (0.51) MMP13MMP2PIN1RXFP1NPC1
SCHEMBL6001724 0.78 MMP13 (0.76) MMP13MMP2RXFP1NPC1RAB9A
SCHEMBL1616512 0.77 ALDH1A1 (0.49) MMP13MMP2PIN1NPC1RAB9A
SCHEMBL3283474 0.76 MMP2 (0.45) MMP13MMP2PIN1RAB9APDGFRB
SCHEMBL3608666 0.76 HRH4 (0.56) MMP13MMP2PIN1PDGFRBFLT3
SCHEMBL3282981 0.76 FLT3 (0.73) PDGFRBFLT3ABL1KITBCR
SCHEMBL1651087 0.76 MMP2 (0.66) MMP13MMP2PIN1NPC1RAB9A

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 MMP13 1841/4885MMP2 2171/4885PIN1 2053/4885
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 MMP13 1856/4885MMP2 2395/4885PIN1 2022/4885

“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.