SCHEMBL6927845

SCHEMBL6927845

COC(=O)c1cccc(Cn2c(-c3ccc(Cl)cc3)nn(CC(=O)NN)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.48
AVPR2 P30518 3/20 0.47
AVPR1A P37288 3/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
DRD2 P14416 2/20 0.46
TBXA2R P21731 2/20 0.46
P2RX3 P56373 4/20 0.43
CNR1 P21554 1/20 0.42
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42
MAPK10 P53779 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TP53 P04637 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL2438261 0.90 AVPR2 (0.49) ABHD6AVPR2AVPR1AMAPTTHRB
SCHEMBL8235605 0.85 AVPR2 (0.51) ABHD6AVPR2AVPR1AMAPTTHRB
SCHEMBL4511048 0.83 AVPR2 (0.54) AVPR2AVPR1AMAPTTHRBP2RX3
SCHEMBL6930069 0.82 AVPR2 (0.51) AVPR2AVPR1AMAPTCNR1TP53
SCHEMBL8227401 0.81 AVPR2 (0.47) AVPR2AVPR1ACNR1
SCHEMBL2500582 0.79 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL6927723 0.78 AVPR2 (0.65) ABHD6AVPR2AVPR1AMAPTTHRB
SCHEMBL18783452 0.77 AVPR2 (0.47) AVPR2AVPR1ACNR1
SCHEMBL3987445 0.75 AVPR2 (0.55) AVPR2AVPR1AMAPTDRD2TBXA2R
SCHEMBL8236149 0.75 AVPR2 (0.61) AVPR2AVPR1AMAPTTP53

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 ABHD6 2842/4885AVPR2 3835/4885AVPR1A 3944/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 ABHD6 2842/4885AVPR2 3835/4885AVPR1A 3944/4885

“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.