SCHEMBL2621794

SCHEMBL2621794

CN1CCN(CCCOc2ccnc3ccc(Br)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.48
▸ EGFR P00533 3/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ MET P08581 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ EHMT2 Q96KQ7 3/20 0.45
▸ EHMT1 Q9H9B1 3/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ DRD3 P35462 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ AXL P30530 2/20 0.42
▸ TBKBP1 A7MCY6 1/20 0.42
▸ PLK4 O00444 1/20 0.42

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
SCHEMBL12390292 0.79 PDGFRB (0.54) EGFRHTTMEN1KMT2ARAB9A
SCHEMBL360467 0.76 GAK (0.47) EGFRHTTGAKRIPK2
SCHEMBL2621787 0.76 CYP1A2 (0.47) HTR1BEGFRHTTKDM4EKMT2A
SCHEMBL2621793 0.76 SLC22A12 (0.47) HTR1BEGFRKDRHTTGAK
SCHEMBL2621800 0.75 HCRTR1 (0.50) EGFRHTTPOLBMEN1KMT2A
SCHEMBL2621812 0.75 EGFR (0.46) EGFRFGFR1FLT1FLT4KDR
SCHEMBL19723307 0.75 EGFR (0.46) EGFRFGFR1FLT1FLT4KDR
SCHEMBL2621811 0.75 EGFR (0.46) EGFRFGFR1FLT1FLT4KDR
SCHEMBL4079743 0.74 LMNA (0.46) EGFRHTTMETGAKRIPK2
SCHEMBL2621801 0.74 ALDH1A1 (0.50) HTR1BEGFRHTTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — 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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 HTR1B 208/4885EGFR 1504/4885FGFR1 408/4885

“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.

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