SCHEMBL2558066

SCHEMBL2558066

NNC(=O)c1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.71
RET P07949 1/20 0.71
PDGFRB P09619 1/20 0.71
PIM1 P11309 1/20 0.71
PDGFRA P16234 1/20 0.71
GSK3B P49841 1/20 0.71
RPS6KA3 P51812 1/20 0.71
LIMK1 P53667 1/20 0.71
CDK5 Q00535 1/20 0.71
TYRO3 Q06418 1/20 0.71
MAPK14 Q16539 1/20 0.71
LRRK2 Q5S007 1/20 0.71
AURKB Q96GD4 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71
DYRK1B Q9Y463 1/20 0.71
TP53 P04637 2/20 0.70
MAPT P10636 6/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 1/20 0.67
ADORA3 P0DMS8 1/20 0.66

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
SCHEMBL29669496 0.83 CA12 (0.72) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL2789578 0.83 TP53 (0.74) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL27887288 0.82 TP53 (0.79) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL726574 0.82 TP53 (1.00) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL27716724 0.82 ACR (0.70) CHEK1RETPDGFRBPIM1PDGFRA
Hydrochloric Acid SCHEMBL28800536 0.81 TP53 (0.77) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL12349853 0.80 MAPT (0.69) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL26307289 0.80 ACR (0.67) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL10242682 0.79 TP53 (0.74) CHEK1RETPDGFRBPIM1PDGFRA
SCHEMBL3844821 0.79 HDAC1 (0.67) CHEK1RETPDGFRBPIM1PDGFRA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US claimed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US disclosed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US disclosed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US disclosed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN disclosed
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 disclosed
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 disclosed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US disclosed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US disclosed
US-9926325-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-03-27 US disclosed
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
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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 CHEK1 1587/4885RET 991/4885PDGFRB 875/4885
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT CHEK1 3570/4885RET 1179/4885PDGFRB 3145/4885
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 CHEK1 1587/4885RET 991/4885PDGFRB 875/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT CHEK1 4175/4885RET 1230/4885PDGFRB 3406/4885
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 CHEK1 1587/4885RET 991/4885PDGFRB 875/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 CHEK1 1681/4885RET 1077/4885PDGFRB 836/4885

“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.