SCHEMBL5890987

SCHEMBL5890987

CN(Cc1cccnc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.69
RIPK1 Q13546 1/20 0.64
CHRNB2 P17787 2/20 0.62
CHRNA4 P43681 2/20 0.62
NAPRT Q6XQN6 1/20 0.56
NAMPT P43490 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
CHRNA7 P36544 1/20 0.50
CLK1 P49759 1/20 0.49
TBXAS1 P24557 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL8057291 0.86 RIPK1 (0.64) LMNARIPK1CHRNB2CHRNA4NAPRT
SCHEMBL8470996 0.85 RIPK1 (0.62) LMNARIPK1CHRNB2CHRNA4NAPRT
SCHEMBL27781493 0.84 LMNA (0.63) LMNARIPK1CHRNB2CHRNA4NAMPT
SCHEMBL6619359 0.83 RIPK1 (0.65) LMNARIPK1CHRNB2CHRNA4NAPRT
SCHEMBL14540710 0.82 LMNA (0.72) LMNARIPK1CHRNB2CHRNA4NAPRT
SCHEMBL12277668 0.82 RIPK1 (0.59) LMNARIPK1CHRNB2CHRNA4NAPRT
SCHEMBL12265796 0.82 RIPK1 (0.76) LMNARIPK1CHRNB2CHRNA4NAPRT
SCHEMBL4068054 0.82 KMT2A (0.72) LMNARIPK1SMN1; SMN2KMT2ANPC1
SCHEMBL17523046 0.81 CHRNB2 (0.61) LMNARIPK1CHRNB2CHRNA4NAPRT
SCHEMBL180384 0.81 NPC1 (0.73) RIPK1SMN1; SMN2KMT2ANPC1RAB9A

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-2699557-B1 3-(OXAZOL-2-YL-ETHOXY)- AND 3-(THIAZOL-2-YL-ETHOXY)-BENZAMIDE DERIVATIVES AS ANTI-BACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2017-08-16 EP claimed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 LMNA 3726/4885RIPK1 3173/4885CHRNB2 790/4885

“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.