SCHEMBL3839136

SCHEMBL3839136

O=c1ccc(-c2ccccc2)nn1CCO

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ TSHR P16473 2/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.55
▸ POLB P06746 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ MET P08581 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL11399679 0.97 KDM4E (0.58) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL11399683 0.89 KDM4E (0.50) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL11096921 0.86 MEN1 (0.59) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL11245497 0.85 MAPT (0.50) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL16117950 0.84 KDM4E (0.69) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL7679338 0.83 KDM4E (0.57) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL3843267 0.83 MEN1 (0.60) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL11395281 0.83 KDM4E (0.50) KDM4EHTTMEN1KMT2AHSD17B10
SCHEMBL5579936 0.81 HTT (0.69) KDM4EHTTTSHRMEN1KMT2A
SCHEMBL11473646 0.80 KDM4E (0.61) KDM4EHTTTSHRMEN1KMT2A

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
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 — — EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 — — WO disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 — — WO disclosed
US-6413966-B1 SEROTONERGIC AND CENTRAL DOPAMINERGIC ACTIVITY; AFFINITY FOR 5HT1A AND 5HT2 SEROTONIN AND D2 DOPAMINE RECEPTORS; ATYPICAL ANTIPSYCHOTICS; SCHIZOPHRENIA FAES, FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. 2002-07-02 — — US disclosed
EP-1057820-A1 Arylpiperazinylalkyl-3(2H)-pyridazinones as serotonin 5HT and dopamine D2 receptor agonists FAES, Fabrica Espanola de Productos Quimicos y Farmaceuticos, S.A. (ES) 2000-12-06 — — EP disclosed
US-4397854-A INCREASE IN MYOCARDIAL CONTRACTILITY WARNER-LAMBERT COMPANY (US) 1983-08-09 — — US 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET KDM4E 2602/4885HTT 562/4885TSHR 3180/4885

“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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