SCHEMBL2586407

SCHEMBL2586407

Cc1nc(C2CCC(c3nnc4n3-c3ccc(Cl)cc3CN(CC(F)F)C4)CC2)no1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.55
OXTR P30559 3/20 0.55
AVPR1A P37288 12/20 0.51
KCNH2 Q12809 4/20 0.50

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
SCHEMBL2586409 1.00 AVPR2 (0.55) AVPR2OXTRAVPR1AKCNH2
SCHEMBL2587654 0.89 AVPR1A (0.55) AVPR2OXTRAVPR1AKCNH2
SCHEMBL2587656 0.89 AVPR1A (0.55) AVPR2OXTRAVPR1AKCNH2
SCHEMBL2589870 0.89 AVPR1A (0.55) AVPR2OXTRAVPR1AKCNH2
SCHEMBL2579256 0.87 AVPR1A (0.68) AVPR2OXTRAVPR1AKCNH2
SCHEMBL2579259 0.87 AVPR1A (0.68) AVPR2OXTRAVPR1AKCNH2
SCHEMBL2583730 0.85 AVPR1A (0.69) AVPR2AVPR1AKCNH2
SCHEMBL2586453 0.85 AVPR1A (0.69) AVPR2AVPR1AKCNH2
SCHEMBL2583728 0.85 AVPR1A (0.69) AVPR2AVPR1AKCNH2
SCHEMBL2587646 0.84 AVPR1A (0.54) AVPR2OXTRAVPR1AKCNH2

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
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP claimed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US claimed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 US claimed
EP-2569319-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8513238-B2 Heteroaryl-cyclohexyl-tetraazabenzo[E]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
US-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-11-10 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 (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-20110275801-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR AVPR2 4/4885OXTR 3/4885AVPR1A 1/4885

“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.