SCHEMBL12813151

SCHEMBL12813151

CC1CN(c2ccc([N+](=O)[O-])c(N)c2)CCO1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
MAPT P10636 14/20 0.59
SIRT6 Q8N6T7 1/20 0.59
RECQL P46063 1/20 0.55
PKM P14618 1/20 0.46
HTR7 P34969 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL24519809 1.00 LMNA (0.59) LMNAMAPTSIRT6RECQLPKM
SCHEMBL21032675 0.84 LMNA (0.61) LMNAMAPTSIRT6RECQLPKM
SCHEMBL30168945 0.84 LMNA (0.61) LMNAMAPTSIRT6RECQLPKM
SCHEMBL3603190 0.84 LMNA (0.61) LMNAMAPTSIRT6RECQLPKM
SCHEMBL23360714 0.84 LMNA (0.61) LMNAMAPTSIRT6RECQLPKM
SCHEMBL5054816 0.84 LMNA (0.61) LMNAMAPTSIRT6RECQLPKM
SCHEMBL12813284 0.81 LGMN (0.44) LMNAMAPTRECQLPKMALDH1A1
SCHEMBL26151071 0.80 MAPT (0.43) LMNAMAPTRECQLALDH1A1SMN1; SMN2
SCHEMBL2445796 0.80 LMNA (0.75) LMNAMAPTSIRT6RECQLPKM
SCHEMBL31000475 0.79 MAPT (0.52) LMNAMAPTALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694060-A1 SUBSTITUTED 3-(1H-BENZO{D}IMIDAZOL-2-YL)-1H-INDAZOLE-ANALOGS AS INHIBITORS OF THE PDK1 KINASE University of Utah Research Foundation (US) 2014-02-12 EP disclosed
US-8569511-B2 Substituted 3-(1H-benzo[d]imidazol-2-yl)-1H-indazole analogs as inhibitors of the PDK1 kinase UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-10-29 US disclosed
US-8569511-B2 Substituted 3-(1H-benzo[d]imidazol-2-yl)-1H-indazole analogs as inhibitors of the PDK1 kinase UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-10-29 US disclosed
US-8569511-B2 Substituted 3-(1H-benzo[d]imidazol-2-yl)-1H-indazole analogs as inhibitors of the PDK1 kinase UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-10-29 US disclosed
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2012-11-01 US disclosed
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2012-11-01 US disclosed
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2012-11-01 US disclosed
WO-2012135799-A1 SUBSTITUTED 3-(1H-BENZO{D}IMIDAZOL-2-YL)-1H-INDAZOLE-ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-10-04 WO disclosed
WO-2012135799-A1 SUBSTITUTED 3-(1H-BENZO{D}IMIDAZOL-2-YL)-1H-INDAZOLE-ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-10-04 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-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE PDK1, PDK3, PDK2 LMNA 2842/4885MAPT 2008/4885SIRT6 734/4885

“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.