SCHEMBL1616727

SCHEMBL1616727

C=CCNCn1ccc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
KMT2A Q03164 2/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR6 P50406 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 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
SCHEMBL3393616 0.84 CDK4 (0.49) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL29376741 0.77 CDK4 (0.67) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL3394303 0.77 CDK4 (0.67) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL3365353 0.77 CDK4 (0.43) CDK4CCND1KMT2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL28421887 0.75 CDK4 (0.64) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL30567377 0.74 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL7198956 0.74 CDK4 (0.68) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL9620499 0.73 CDK4 (0.52) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL1460648 0.73 CDK4 (0.61) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL3393327 0.72 SLC6A2 (0.44) CDK4CCND1KMT2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024031155-A1 RADIOPHARMACEUTICALS AdvanCell Isotopes Pty Limited (AU) 2024-02-15 WO disclosed
EP-2721045-B1 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS RADIOMEDIX INC (US) 2017-04-12 EP disclosed
US-9550001-B2 Compositions, methods of synthesis and use of carbohydrate targeted agents RADIOMEDIX INC. (US) 2017-01-24 US disclosed
US-20140228551-A1 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS RADIOMEDIX INC. (US) 2014-08-14 US disclosed
EP-2721045-A2 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS Radiomedix Inc. (US) 2014-04-23 EP disclosed
WO-2012177701-A2 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS RADIOMEDIX INC. (US) 2012-12-27 WO 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
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 (3 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 CDK4 1020/4885CCND1 2054/4885KMT2A 362/4885
US-20140228551-A1 COMPOSITIONS, METHODS OF SYNTHESIS AND USE OF CARBOHYDRATE TARGETED AGENTS SLC2A2, SLC2A3, SLC2A1 CDK4 552/4885CCND1 258/4885KMT2A 2072/4885
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 CDK4 668/4885CCND1 1390/4885KMT2A 382/4885

“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.