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SCHEMBL5890993

SCHEMBL5890993

COc1cccc(-c2cc(OC)c(C(=O)N3Cc4ccc(C(=O)NCc5ccncc5)n4Cc4ccccc43)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 11/20 0.43
▸ GSK3B P49841 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ PRKX P51817 2/20 0.39
▸ PRKCQ Q04759 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL5891472 0.93 AVPR2 (0.42) AVPR2CYP3A4MEN1KMT2ADGAT2
SCHEMBL5890958 0.90 AVPR2 (0.43) AVPR2AVPR1ACYP3A4KMT2A
SCHEMBL5891446 0.88 AVPR2 (0.43) AVPR2TP53AVPR1APOLB
SCHEMBL5891678 0.87 AVPR2 (0.48) AVPR2GSK3BAURKAPRKACAPRKX
SCHEMBL5890869 0.86 AVPR2 (0.39) AVPR2TP53AVPR1A
SCHEMBL5890715 0.86 AVPR2 (0.42) AVPR2TP53AVPR1A
SCHEMBL5787609 0.85 LMNA (0.48) AVPR2TP53CYP3A4CYP2D6CYP2C9
SCHEMBL5784367 0.85 AVPR2 (0.44) AVPR2AVPR1ANAMPT
SCHEMBL5784040 0.85 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5890810 0.84 ROCK2 (0.42) AVPR2GSK3BAURKAPRKACAPRKX

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-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 — — US claimed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 — — EP claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 — — US claimed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 — — WO claimed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 — — US disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 — — 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR2 70/4885GSK3B 3918/4885AURKA 2335/4885

“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.