SCHEMBL389686

SCHEMBL389686

CC(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)(C(N)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.55
AVPR1A P37288 17/20 0.55
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4500661 0.91 AVPR2 (0.55) AVPR2AVPR1AKDM4ETP53MAPT
SCHEMBL8234571 0.87 AVPR2 (0.60) AVPR2AVPR1AKDM4ETP53MAPT
SCHEMBL12057054 0.86 KDM4E (0.49) AVPR2AVPR1AKDM4EMAPT
SCHEMBL8237189 0.85 KDM4E (0.48) AVPR2AVPR1AKDM4EMAPT
SCHEMBL8234754 0.85 KDM4E (0.48) AVPR2AVPR1AKDM4EMAPT
SCHEMBL460819 0.84 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL716534 0.84 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL385140 0.84 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL462943 0.84 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL715845 0.84 AVPR2 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408754-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN RECEPTOR FOR THE TREATMENT OF CARDIAC INSUFFICIENCY BAYER IP GMBH (DE) 2013-10-09 EP disclosed
EP-2408754-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN RECEPTOR FOR THE TREATMENT OF CARDIAC INSUFFICIENCY BAYER IP GMBH (DE) 2013-10-09 EP disclosed
CN-102369190-A Triazole derivatives as vasopressin-receptor inhibitors for treating cardiac insufficiency BAYER SCHERING PHARMA AG 2012-03-07 CN 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
EP-2408754-A1 Triazole derivatives as vasopressin-receptor inhibitors for treating cardiac insufficiency Bayer Pharma Aktiengesellschaft (DE) 2012-01-25 EP 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-2010105750-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY 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 (1 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-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A AVPR2 1/4885AVPR1A 3/4885KDM4E 4683/4885

“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.