SCHEMBL10173603

SCHEMBL10173603

CCNC(=O)c1cc2nc(Nc3c(Cl)cncc3Cl)[nH]c2nc1OCCN(C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.36
HSP90AB1 P08238 3/20 0.33
CNR1 P21554 3/20 0.31
DYRK1A Q13627 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIM1 P11309 1/20 0.31
BAD Q92934 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
P2RX3 P56373 1/20 0.30
CNR2 P34972 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL10173604 0.88 PTGES (0.38) PTGESCNR1PIM1BADPIM2
SCHEMBL2703008 0.88 PTGES (0.35) PTGESHSP90AA1
SCHEMBL10173669 0.86 PTGES (0.40) PTGESCNR1PIM1BADPIM2
SCHEMBL10173612 0.82 PTGES (0.41) PTGESCNR1CNR2
SCHEMBL10173606 0.82 PTGES (0.37) PTGESHSP90AB1CNR1DYRK1AHSP90AA1
SCHEMBL2363873 0.77 PTGES (0.36) PTGESCNR1PDE4APDE4BPDE4C
SCHEMBL2363907 0.77 PTGES (0.36) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL10173627 0.77 CNR1 (0.39) PTGESCNR1CNR2
SCHEMBL2363380 0.76 PTGES (0.36) PTGESPDE4APDE4BPDE4CPDE4D
SCHEMBL2363800 0.75 CNR1 (0.37) PTGESCNR1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703796-B2 3H-imidazo [4, 5-B] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, MAPRE2, IL4 PTGES 132/4885HSP90AB1 2163/4885CNR1 1288/4885

“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.