SCHEMBL3605617

SCHEMBL3605617

N#Cc1c(NOCCO)nc(Sc2ccccc2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.44
ADORA1 P30542 15/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
SMAD3 P84022 1/20 0.37

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
SCHEMBL13879906 0.88 ADORA1 (0.50) PRF1ADORA1SLC6A3MAPTNPSR1
SCHEMBL3598171 0.84 ADORA1 (0.50) PRF1ADORA1SLC6A3MAPTNPSR1
SCHEMBL241556 0.83 MAPT (0.59) PRF1ADORA1SLC6A3MAPTNPSR1
SCHEMBL3596701 0.80 PRF1 (0.49) PRF1ADORA1SLC6A3MAPTNPSR1
SCHEMBL245394 0.78 ADORA1 (0.55) PRF1ADORA1SLC6A3MAPTNPSR1
SCHEMBL12535078 0.77 ADORA1 (0.47) PRF1ADORA1SLC6A3MAPTNPSR1
SCHEMBL13036572 0.77 ADORA1 (0.57) ADORA1SLC6A3MAPTNPSR1RXFP1
SCHEMBL4031424 0.76 ADORA1 (0.48) ADORA1MAPTNPSR1KDM4EMEN1
SCHEMBL13036569 0.75 ADORA1 (0.53) ADORA1SLC6A3MAPTKDM4EMEN1
SCHEMBL13036574 0.74 ADORA1 (0.59) PRF1ADORA1SLC6A3ADORA2B

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
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-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
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 PRF1 3403/4885ADORA1 1/4885SLC6A3 2970/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL PRF1 4513/4885ADORA1 2721/4885SLC6A3 813/4885

“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.