SCHEMBL9939862

SCHEMBL9939862

O=C(NCc1ccc(Cl)c(Nc2nc3cc(N4CCCC4)ccc3[nH]2)c1)c1cccc(-c2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
HDAC1 Q13547 2/20 0.41
POLB P06746 1/20 0.40
WDR5 P61964 4/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KLKB1 P03952 5/20 0.39
MAP4K1 Q92918 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.37
JAK2 O60674 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
TAOK1 Q7L7X3 1/20 0.36

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
SCHEMBL9939824 0.86 POLB (0.45) HDAC1POLBWDR5ROCK2ROCK1
SCHEMBL9939935 0.85 KLKB1 (0.42) KDM1AHDAC1POLBWDR5ROCK2
SCHEMBL9939978 0.82 SMN1; SMN2 (0.42) HDAC1POLBROCK2ROCK1SMN1; SMN2
SCHEMBL9939975 0.81 SLC6A4 (0.49) HDAC1POLBSMN1; SMN2KMT2A
SCHEMBL9939851 0.81 CYP1A2 (0.45) WDR5SMN1; SMN2
SCHEMBL9939826 0.80 POLB (0.37) POLBWDR5SMN1; SMN2KMT2A
SCHEMBL9939842 0.79 HDAC3 (0.39) HDAC1POLBWDR5ROCK2ROCK1
SCHEMBL9939974 0.79 PTGES (0.43)
SCHEMBL9939936 0.78 ENPP2 (0.36) WDR5
SCHEMBL9939773 0.78 AKT2 (0.42) WDR5ROCK2SMN1; SMN2KMT2A

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
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES KDM1A 1469/4885HDAC1 1401/4885POLB 2124/4885

“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.