SCHEMBL6930069

SCHEMBL6930069

COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(CC(=O)NN)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.51
AVPR1A P37288 2/20 0.51
PLA2G2A P14555 1/20 0.50
KMT2A Q03164 3/20 0.48
CNR1 P21554 3/20 0.48
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 2/20 0.44
CNR2 P34972 2/20 0.44
GFER P55789 1/20 0.44
PROKR1 Q8TCW9 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4499194 0.88 AVPR2 (0.55) AVPR2AVPR1AKMT2ACNR1TP53
SCHEMBL8237067 0.84 TSHR (0.54) AVPR2AVPR1AKMT2ACNR1TP53
SCHEMBL6927845 0.82 ABHD6 (0.48) AVPR2AVPR1APLA2G2ACNR1TP53
SCHEMBL8233525 0.80 AVPR2 (0.51) AVPR2AVPR1ATP53LMNARXFP1
SCHEMBL18808535 0.79 AVPR2 (0.55) AVPR2AVPR1AKMT2ACNR1TP53
SCHEMBL4499208 0.79 AVPR2 (0.56) AVPR2AVPR1ACNR1TP53LMNA
SCHEMBL8233142 0.79 AVPR2 (0.55) AVPR2AVPR1AKMT2ATP53MAPT
SCHEMBL27770341 0.78 AVPR2 (0.49) AVPR2AVPR1AKMT2ACNR1TP53
SCHEMBL18783452 0.77 AVPR2 (0.47) AVPR2AVPR1ACNR1
SCHEMBL6927868 0.77 AVPR2 (0.62) AVPR2AVPR1A

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 3944/4885PLA2G2A 4716/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 AVPR2 3835/4885AVPR1A 3944/4885PLA2G2A 4716/4885

“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.