SCHEMBL2301678

SCHEMBL2301678

Cc1nc2cc(C(N)=O)cnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
NNMT P40261 7/20 0.40
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RIPK1 Q13546 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
PSMD14 O00487 1/20 0.37
STAMBP O95630 1/20 0.37
COPS5 Q92905 1/20 0.37
CHEK2 O96017 2/20 0.37
CCNT1 O60563 1/20 0.37
CCND1 P24385 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 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
SCHEMBL13122906 0.85 HSP90AA1 (0.41) HSP90AA1ESR2TDP1CHEK2CDK8
SCHEMBL7214667 0.85 TDP1 (0.51) HSP90AA1ESR2TDP1PSMD14SMN1; SMN2
SCHEMBL10080440 0.78 HPGDS (0.38) HPGDSNNMTRIPK1MAPK1PSMD14
SCHEMBL12335792 0.76 ULK1 (0.47) LMNA
SCHEMBL986294 0.74 ALDH1A1 (0.37) HSP90AA1ESR2TDP1CDK7SMN1; SMN2
SCHEMBL12335793 0.74 SMN1; SMN2 (0.48) RIPK1SMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL7916579 0.73 CDK5 (0.42) CDK7SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL671743 0.73 GPR84 (0.47) HPGDSRIPK1CCNT1CDK9
SCHEMBL8262964 0.72 HSP90AA1 (0.55) HSP90AA1ESR2TDP1CHEK2SMN1; SMN2
SCHEMBL2301543 0.71 MAPK1 (0.43) HPGDSNNMTRIPK1LMNAMAPK1

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 4 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 claimed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US claimed
EP-2350073-A1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-03 EP claimed
WO-2010034799-A1 3H-IMIDAZ0 [4, 5-B] PYRIDINE- 6 -CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed

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 HPGDS 427/4885NNMT 1022/4885HSP90AA1 1684/4885

“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.