SCHEMBL3544893

SCHEMBL3544893

N#Cc1c(N)nc(Cl)c(C#N)c1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.62
HSD17B10 Q99714 3/20 0.62
ADRA2A P08913 2/20 0.62
HTT P42858 1/20 0.62
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.58
RXFP1 Q9HBX9 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
ADORA1 P30542 5/20 0.56
LMNA P02545 1/20 0.55
CDK5 Q00535 1/20 0.55
DYRK1A Q13627 1/20 0.55
CDK5R1 Q15078 1/20 0.55
MEN1 O00255 1/20 0.55
ALOX15 P16050 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL26632997 0.89 ADORA2A (0.51) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL7011406 0.89 ADORA2A (0.70) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL161948 0.89 L3MBTL1 (0.60) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL19924520 0.87 ADORA2A (0.52) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL935583 0.81 ADORA2A (0.61) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL245321 0.81 ADORA2A (0.60) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL15286644 0.80 ADORA1 (0.60) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL4436700 0.78 ADORA2A (0.60) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL3548799 0.78 KDM4E (0.49) ADORA2AHSD17B10ADRA2AHTTKDM4E
SCHEMBL28383673 0.78 KDM4E (0.66) ADORA2AHSD17B10ADRA2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507626-A Compositions and methods for modulating short-chain dehydrogenase activity 罗迪奥治疗公司 2023-07-28 CN disclosed
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 US disclosed
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 US disclosed
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 US disclosed
EP-4153299-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY Rodeo Therapeutics Corporation (US) 2023-03-29 EP disclosed
WO-2021236779-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY RODEO THERAPEUTICS CORPORATION (US) 2021-11-25 WO disclosed
WO-2021236779-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY RODEO THERAPEUTICS CORPORATION (US) 2021-11-25 WO disclosed
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
US-7855219-B2 Substituted 2-oxy-3,5-dicyano-4aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-21 US disclosed
EP-1368320-B1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-08-16 EP disclosed
US-20050261502-A1 Substituted 2-oxy-3,5-dicyano-4-aryl-6-aminopyridines and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-11-24 US disclosed
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1368320-A1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP disclosed
WO-2002070484-A1 SUBSTITUTED 2-OXY-3,5-DICYANO-4-ARYL-6-AMINOPYRIDINES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 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-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS ADORA2A 1966/4885HSD17B10 21/4885ADRA2A 1968/4885
US-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 ADORA2A 2417/4885HSD17B10 3642/4885ADRA2A 847/4885
US-20050261502-A1 Substituted 2-oxy-3,5-dicyano-4-aryl-6-aminopyridines and use thereof ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885HSD17B10 3538/4885ADRA2A 27/4885

“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.