SCHEMBL1338075

SCHEMBL1338075

O=C(NC1CCC2(CC1)CC2)c1cc2[nH]c(Nc3c(Cl)cccc3Cl)nc2cn1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.48
CNR1 P21554 2/20 0.39
PARP1 P09874 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL12132139 0.90 PTGES (0.55) PTGESCNR1JAK2
SCHEMBL1337918 0.86 PTGES (0.55) PTGESPARP1
SCHEMBL1337915 0.86 PTGES (0.55) PTGESPARP1
SCHEMBL1336704 0.85 PTGES (0.55) PTGESCNR1SMYD3JAK2TYK2
SCHEMBL1338148 0.83 PTGES (0.57) PTGESCNR1SMYD3JAK2TYK2
SCHEMBL16318559 0.82 PTGES (0.55) PTGES
SCHEMBL10223480 0.82 PTGES (0.45) PTGESSMYD3
SCHEMBL16318537 0.81 PTGES (0.60) PTGES
SCHEMBL1338865 0.80 PTGES (0.44) PTGESJAK2TYK2
SCHEMBL16352191 0.79 PTGES (0.56) PTGESSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US claimed
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, IL4, MAP7D3 PTGES 151/4885CNR1 1083/4885PARP1 2062/4885

“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.