SCHEMBL1615647

SCHEMBL1615647

NC(=O)c1cc2cc(C=O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.46
▸ PDGFRB P09619 4/20 0.45
▸ FLT3 P36888 4/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ SMAD3 P84022 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL19687648 0.87 CYP2A6 (0.46) CYP2A6FLT3KDM4EALDH1A1HPGD
SCHEMBL12804291 0.85 MMP2 (0.46) PDGFRBFLT3ABL1KITBCR
SCHEMBL6518705 0.85 SMAD3 (0.62) CYP2A6PDGFRBFLT3ABL1KIT
SCHEMBL12804088 0.81 MMP2 (0.43) PDGFRBFLT3ABL1KITBCR
SCHEMBL27703602 0.80 CYP2A6 (0.42) CYP2A6PDGFRBFLT3ABL1KIT
SCHEMBL6514221 0.80 XDH (0.57) CYP2A6PDGFRBFLT3MMP2MMP13
SCHEMBL3608666 0.77 HRH4 (0.56) CYP2A6PDGFRBFLT3ABL1KIT
SCHEMBL3282981 0.77 FLT3 (0.73) PDGFRBFLT3ABL1KITBCR
SCHEMBL1651087 0.77 MMP2 (0.66) PDGFRBFLT3ABL1KITBCR
SCHEMBL5315440 0.76 KDM4E (0.45) CYP2A6PDGFRBFLT3ABL1KIT

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-101006055-B 3-substituted-5-and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC 2011-06-22 — — CN disclosed
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
CN-101006055-A 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase iepsilon AVENTIS PHARMA INC (US) 2007-07-25 — — CN 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 CYP2A6 998/4885PDGFRB 2101/4885FLT3 2427/4885
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 CYP2A6 867/4885PDGFRB 1579/4885FLT3 1925/4885

“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.

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