SCHEMBL5835009

SCHEMBL5835009

Cc1cc(Oc2ccc(F)c(F)c2)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
KMT2A Q03164 1/20 0.40
TGFBR1 P36897 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 6/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
SOS1 Q07889 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL6954140 0.91 ADORA2A (0.42) ADORA2AADORA1KMT2ATGFBR1SLC6A4
SCHEMBL6950869 0.90 KMT2A (0.45) ADORA2AADORA1KMT2ATGFBR1SLC6A2
SCHEMBL6280223 0.86 ADORA2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6954018 0.86 ADORA2A (0.46) ADORA2AADORA1SLC6A2SLC6A4SLC6A3
SCHEMBL6950881 0.85 ADORA2A (0.44) ADORA2AADORA1KMT2ATGFBR1SLC6A2
SCHEMBL6958602 0.85 KMT2A (0.46) ADORA2AADORA1KMT2ATGFBR1SLC6A2
SCHEMBL6290016 0.85 TRPV3 (0.41) ATMPOLBSCN9AKDM4EMAPT
SCHEMBL6959603 0.83 KMT2A (0.45) ADORA2AADORA1KMT2ATGFBR1
SCHEMBL6955526 0.83 POLB (0.47) ADORA2AADORA1KMT2ATGFBR1SLC6A2
SCHEMBL6954736 0.81 ADORA2A (0.43) ADORA2AADORA1KMT2ATGFBR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561378-A2 Selective herbicides based upon arylsulfonylaminocarbonyltriazolinones Bayer CropScience AG (DE) 2005-08-10 EP claimed
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-13 US claimed
EP-0923571-B1 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE BASF AG (DE) 2003-06-18 EP claimed
EP-1303189-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES Bayer CropScience AG (DE) 2003-04-23 EP claimed
WO-2002001957-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-01-10 WO claimed
EP-0923571-A2 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE AMERICAN CYANAMID COMPANY (US) 1999-06-23 EP claimed
WO-1998004548-A2 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE AMERICAN CYANAMID COMPANY (US) 1998-02-05 WO claimed
US-7115543-B2 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER CROPSCIENCE AG (DE) 2006-10-03 US disclosed
EP-1561378-A2 Selective herbicides based upon arylsulfonylaminocarbonyltriazolinones Bayer CropScience AG (DE) 2005-08-10 EP disclosed
US-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-11-13 US disclosed
EP-0923571-B1 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE BASF AG (DE) 2003-06-18 EP disclosed
EP-1303189-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES Bayer CropScience AG (DE) 2003-04-23 EP disclosed
WO-2002001957-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-01-10 WO disclosed
EP-0923571-A2 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE AMERICAN CYANAMID COMPANY (US) 1999-06-23 EP disclosed
WO-1998004548-A2 TRISUBSTITUTED PYRIDINE COMPOUNDS FOR HERBICIDAL USE AMERICAN CYANAMID COMPANY (US) 1998-02-05 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 (1 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-20030211942-A1 Aryl sulfonyl amino carbonyl triazole based selective herbicides AADAC, CBR3, ABAT ADORA2A 2612/4885ADORA1 3200/4885KMT2A 462/4885

“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.