SCHEMBL1616734

SCHEMBL1616734

C=CC(N)c1ccc2[nH]c(C(N)=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.40
▸ PDGFRB P09619 4/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ SMAD3 P84022 1/20 0.39
▸ CFD P00746 1/20 0.39
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 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
SCHEMBL1617578 0.89 EIF4A3 (0.48) FLT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1651087 0.72 MMP2 (0.66) FLT3PDGFRBABL1KITBCR
SCHEMBL3608666 0.72 HRH4 (0.56) FLT3PDGFRBABL1KITBCR
SCHEMBL3282981 0.72 FLT3 (0.73) FLT3PDGFRBABL1KITBCR
SCHEMBL1615647 0.71 CYP2A6 (0.46) FLT3PDGFRBABL1KITBCR
SCHEMBL13157412 0.70 SLC6A2 (0.43) MMP2MMP13SMAD3CFDKDM4E
SCHEMBL11960184 0.70 PIN1 (0.72) FLT3PDGFRBMMP2MMP13PIN1
SCHEMBL250527 0.70 KDM4E (0.72) FLT3KDM4EPDPK1ALDH1A1LMNA
SCHEMBL12086506 0.70 HRH4 (0.55) FLT3PDGFRBABL1KITBCR
SCHEMBL764543 0.70 F7 (0.72) FLT3F7F3PYGL

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 FLT3 2427/4885PDGFRB 2101/4885ABL1 117/4885
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 FLT3 1925/4885PDGFRB 1579/4885ABL1 139/4885

“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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