SCHEMBL3600737

SCHEMBL3600737

CN(C)CCOc1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
HSD17B10 Q99714 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 4/20 0.46
RXFP1 Q9HBX9 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.46
SMAD3 P84022 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46

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
SCHEMBL245866 0.86 KDM4E (0.50) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL30511861 0.85 PRF1 (0.58) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL245940 0.85 PRF1 (0.58) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL3338306 0.84 ADORA1 (0.60) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL245484 0.82 KDM4E (0.48) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL13929770 0.82 KDM4E (0.52) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL3359383 0.80 KDM4E (0.60) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL245311 0.80 ADORA1 (0.48) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL14040006 0.80 KDM4E (0.45) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL25365985 0.79 ADORA1 (0.55) KDM4EALDH1A1MAPTHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691850-B2 Substituted phenylaminothiazoles and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-08 US disclosed
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
EP-1994031-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES Bayer HealthCare AG (DE) 2008-11-26 EP disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
WO-2007101531-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES BAYER HEALTHCARE AG (DE) 2007-09-13 WO disclosed
WO-2007101531-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES BAYER HEALTHCARE AG (DE) 2007-09-13 WO disclosed
EP-1812430-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-01 EP disclosed
WO-2006027142-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-16 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-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases ADORA1, ADORA2B, ADORA2A KDM4E 4410/4885ALDH1A1 312/4885MAPT 4545/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL KDM4E 1932/4885ALDH1A1 739/4885MAPT 1149/4885

“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.