SCHEMBL256780

SCHEMBL256780

O=C(O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@@H](O)C(F)(F)F)c1=O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.70
AVPR1A P37288 20/20 0.70

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
SCHEMBL3446754 1.00 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL257238 1.00 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL13158519 0.91 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL22365957 0.91 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL19564901 0.91 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL19564902 0.91 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL23130460 0.88 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL19540592 0.88 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL21026200 0.88 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL257237 0.88 AVPR2 (0.70) 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142804-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-16 US disclosed
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 EP disclosed
EP-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 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-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
WO-2011023703-A1 HETEROCYCLIC-SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 WO disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
WO-2010105750-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 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 (4 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-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 AVPR2 3835/4885AVPR1A 3944/4885
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 AVPR2 2370/4885AVPR1A 3230/4885
US-20190142804-A1 FLUOROALKYL-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, NAT1, FABP3 AVPR2 3453/4885AVPR1A 4389/4885

“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.