SCHEMBL2653198

SCHEMBL2653198

COC(=O)c1cn(-c2cccc(N)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NOTUM Q6P988 1/20 0.46
TUBB4A P04350 4/20 0.44
TUBB P07437 4/20 0.44
TUBA3C P0DPH7 4/20 0.44
TUBA1B P68363 4/20 0.44
TUBA4A P68366 4/20 0.44
TUBB4B P68371 4/20 0.44
TUBB3 Q13509 4/20 0.44
TUBB2A Q13885 4/20 0.44
TUBB8 Q3ZCM7 4/20 0.44
TUBA3E Q6PEY2 4/20 0.44
TUBA1A Q71U36 4/20 0.44
TUBA1C Q9BQE3 4/20 0.44
TUBB6 Q9BUF5 4/20 0.44
TUBB2B Q9BVA1 4/20 0.44
TUBB1 Q9H4B7 4/20 0.44
MLLT3 P42568 1/20 0.44
MLLT1 Q03111 1/20 0.44

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
SCHEMBL31434649 0.84 KMT2A (0.55) MEN1KMT2ANOTUMTUBB4ATUBB
SCHEMBL71789 0.83 MEN1 (0.59) MEN1KMT2ANOTUMMAPTUSP30
SCHEMBL23340004 0.81 MEN1 (0.49) MEN1KMT2ANOTUMMLLT3MLLT1
SCHEMBL16820083 0.81 KMT2A (0.49) MEN1KMT2ANOTUMMAPTNPC1
SCHEMBL18987388 0.81 GRM5 (0.52) MEN1KMT2ANOTUMMLLT3MLLT1
SCHEMBL1879440 0.80 MEN1 (0.51) MEN1KMT2ANOTUMTUBB4ATUBB
SCHEMBL4426800 0.78 MEN1 (0.55) MEN1KMT2ANOTUMMLLT3MLLT1
SCHEMBL4432842 0.77 NOTUM (0.74) MEN1KMT2ANOTUMMAPTRAB9A
SCHEMBL30343253 0.77 CYP2A6 (0.56) MEN1KMT2ANOTUMTUBB4ATUBB
SCHEMBL17065961 0.77 MEN1 (0.50) MEN1KMT2ANOTUMMAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863913-B1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 EP disclosed
US-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 US disclosed
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP disclosed
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
CN-1167686-C Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds О 2004-09-22 CN disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
US-6649609-B2 For inducing and maintaining anesthesia, sedation and muscle relaxation, as well as for combating febrile convulsions in children NEUROSEARCH A/S (DK) 2003-11-18 US disclosed
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds ANIONA APS (DK) 2003-03-20 US disclosed
CN-1356987-A Novel benzimidazole derivatives and pharmaceutical compsns. comprising these compounds NEUROSEARCH AS (DK) 2002-07-03 CN disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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 (3 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MEN1 4632/4885KMT2A 1116/4885NOTUM 1868/4885
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK MEN1 4509/4885KMT2A 1843/4885NOTUM 1134/4885
US-20030055055-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MEN1 4691/4885KMT2A 1597/4885NOTUM 1634/4885

“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.