SCHEMBL2563250

SCHEMBL2563250

CC1c2nnc(-c3nc(-c4ccccc4)no3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.84
KCNH2 Q12809 10/20 0.84
CYP1A2 P05177 9/20 0.84
CYP2C9 P11712 9/20 0.84
CYP2C19 P33261 9/20 0.84
CYP3A4 P08684 8/20 0.84
TACR2 P21452 6/20 0.79
TACR1 P25103 6/20 0.79
CYP2D6 P10635 5/20 0.69
ERG P11308 3/20 0.68

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
SCHEMBL2563249 0.94 TACR3 (0.79) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL2561747 0.93 TACR3 (0.81) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL2559217 0.93 TACR3 (0.81) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL2559223 0.93 TACR3 (0.81) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL16049384 0.91 TACR3 (1.00) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL16049386 0.91 TACR3 (1.00) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL16143221 0.88 TACR3 (1.00) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL17005220 0.88 TACR3 (1.00) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL2567276 0.85 TACR3 (0.81) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL18710454 0.85 TACR3 (0.76) TACR3KCNH2CYP1A2CYP2C9CYP2C19

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-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US claimed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US claimed
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-09-04 US claimed
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2018-07-12 US claimed
EP-3176171-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-06-07 EP claimed
EP-2552920-B1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-03-15 EP claimed
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2015-11-05 US claimed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 US claimed
US-8871761-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders EUROSCREEN S.A. (BE) 2014-10-28 US claimed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP claimed
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2013-01-24 US claimed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO claimed
EP-3176171-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-06-07 EP disclosed
EP-2552920-B1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-03-15 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 (6 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 TACR3 12/4885KCNH2 236/4885CYP1A2 2801/4885
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 TACR3 7/4885KCNH2 171/4885CYP1A2 2297/4885
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 TACR3 12/4885KCNH2 236/4885CYP1A2 2801/4885
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 TACR3 12/4885KCNH2 236/4885CYP1A2 2801/4885
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 TACR3 12/4885KCNH2 236/4885CYP1A2 2801/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 TACR3 7/4885KCNH2 171/4885CYP1A2 2297/4885

“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.