SCHEMBL4950174

SCHEMBL4950174

CN1C(=O)C(C)(C)c2cc(N)c(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL15579008 0.86 MEN1 (0.39) MPITDP1MEN1KMT2APDE4A
SCHEMBL15577492 0.86 MEN1 (0.42) MPITDP1MEN1KMT2APDE4A
SCHEMBL13341324 0.83 MPI (0.40) MPITDP1MEN1KMT2APDE4A
SCHEMBL13341327 0.83 MEN1 (0.37) MPITDP1MEN1KMT2APDE4A
SCHEMBL2489209 0.81 TDP1 (0.72) MPITDP1MEN1KMT2APOLB
SCHEMBL23578359 0.78 KDM4E (0.45) MEN1KMT2APOLBMAPTGAA
SCHEMBL23577773 0.78 KDM4E (0.45) MPITDP1MEN1KMT2APOLB
SCHEMBL13993447 0.78 MEN1 (0.50) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL31251202 0.78 MEN1 (0.50) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2490886 0.78 OPRL1 (0.41) MPITDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US disclosed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 US disclosed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 MPI 1136/4885TDP1 1809/4885MEN1 516/4885
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 MPI 1121/4885TDP1 1183/4885MEN1 756/4885
US-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 MPI 2008/4885TDP1 2044/4885MEN1 348/4885

“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.