SCHEMBL8739503

SCHEMBL8739503

CC(C(=O)NC(C)(C)c1cccc(C(F)(F)F)c1)n1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.48
AVPR1A P37288 5/20 0.48
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
CCR2 P41597 1/20 0.36
TRPV4 Q9HBA0 4/20 0.35
P2RX3 P56373 2/20 0.35
KRAS P01116 1/20 0.35
SOS1 Q07889 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL8233194 0.86 AVPR2 (0.48) AVPR2AVPR1AKRASSOS1
SCHEMBL8235536 0.85 AVPR2 (0.54) AVPR2AVPR1AMEN1KMT2ATP53
SCHEMBL8232880 0.82 AVPR2 (0.38) AVPR2AVPR1AMEN1KMT2AGRIN1
SCHEMBL4499296 0.82 AVPR2 (0.55) AVPR2AVPR1ATP53MAPT
SCHEMBL8233125 0.81 AVPR2 (0.53) AVPR2AVPR1AMEN1KMT2ATRPV4
SCHEMBL7908220 0.80 AVPR2 (0.44) AVPR2AVPR1AMEN1KMT2ACCR2
SCHEMBL16167678 0.78 AVPR2 (0.43) AVPR2AVPR1AMEN1KMT2ACCR2
SCHEMBL8232644 0.76 AVPR2 (0.33) AVPR2AVPR1A
SCHEMBL463144 0.76 AVPR2 (0.55) AVPR2AVPR1AP2RX3TP53MAPT
SCHEMBL8235348 0.75 AVPR2 (0.37) AVPR2AVPR1AMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP 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-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

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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885MEN1 1879/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B AVPR2 1/4885AVPR1A 2/4885MEN1 1879/4885

“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.