SCHEMBL6927916

SCHEMBL6927916

COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(S(=O)(=O)c3ncn[nH]3)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.48
AVPR1A P37288 2/20 0.48
PLCG1 P19174 1/20 0.47
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
TP53 P04637 1/20 0.43
P2RX3 P56373 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 4/20 0.37
HTT P42858 3/20 0.37
CNR2 P34972 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
PDE1B Q01064 2/20 0.36

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
SCHEMBL2436705 0.74 AVPR2 (0.71) AVPR2AVPR1ATP53SMN1; SMN2LMNA
SCHEMBL18808535 0.73 AVPR2 (0.55) AVPR2AVPR1AGAAGFERTP53
SCHEMBL2435199 0.71 GAA (0.64) AVPR2AVPR1AGAAGFERTP53
SCHEMBL4499194 0.71 AVPR2 (0.55) AVPR2AVPR1AGAAGFERTP53
SCHEMBL27770341 0.70 AVPR2 (0.49) AVPR2AVPR1AGAAGFERTP53
SCHEMBL29670548 0.68 GAA (0.52) AVPR2AVPR1AGAAGFERTP53
SCHEMBL8237067 0.68 TSHR (0.54) AVPR2AVPR1AGAAGFERTP53
SCHEMBL6930069 0.67 AVPR2 (0.51) AVPR2AVPR1AGAAGFERTP53
SCHEMBL4502064 0.67 AVPR2 (0.49) AVPR2AVPR1AGAAGFERTP53
SCHEMBL2442827 0.65 AVPR2 (0.78) AVPR2AVPR1AGAAGFERTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 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-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 AVPR2 3835/4885AVPR1A 3944/4885PLCG1 4803/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 AVPR2 3835/4885AVPR1A 3944/4885PLCG1 4803/4885

“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.