SCHEMBL3446754

SCHEMBL3446754

O=C(O)Cn1nc(-c2ccc(Cl)cc2)n(CC(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
SCHEMBL256780 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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11331314-B2 Amine substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 US disclosed
US-11298367-B2 Prodrugs of substituted triazole derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2022-04-12 US disclosed
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-11173151-B2 Substituted triazole derivatives and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-11-16 US disclosed
EP-3700913-B1 PRODRUGS OF SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-11-10 EP disclosed
US-11149023-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-10-19 US disclosed
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-17 US disclosed
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-17 US disclosed
CN-113121504-A Amide-substituted pyridyl triazole derivatives and use thereof 拜耳制药股份公司 2021-07-16 CN disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 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
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-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 WO disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 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 (9 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-11331314-B2 Amine substituted triazole derivatives and uses thereof GLS, TNNI3, NAT1 AVPR2 1052/4885AVPR1A 1988/4885
US-11230540-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 AVPR2 1574/4885AVPR1A 2827/4885
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885
US-20210253557-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 AVPR2 1574/4885AVPR1A 2827/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 AVPR2 2370/4885AVPR1A 3230/4885
US-11149023-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 AVPR2 1574/4885AVPR1A 2827/4885
US-11173151-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 AVPR2 1574/4885AVPR1A 2827/4885
US-11091463-B2 Amide-substituted pyridinyltriazole derivatives and uses thereof AADAC, GLS, PDXK AVPR2 1068/4885AVPR1A 2095/4885
US-11298367-B2 Prodrugs of substituted triazole derivatives and uses thereof CYP4B1, AADAC, GLS AVPR2 2259/4885AVPR1A 2892/4885

“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.