SCHEMBL1768166

SCHEMBL1768166

CCOc1cccc(C[NH])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
DHFR P00374 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NQO1 P15559 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 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
SCHEMBL131598 0.83 TP53 (0.59) CYP3A4TP53CHRM2CHRM1CHRM3
SCHEMBL31061915 0.83 TP53 (0.59) CYP3A4TP53CHRM2CHRM1CHRM3
SCHEMBL5247746 0.83 TP53 (0.59) CYP3A4TP53CHRM2CHRM1CHRM3
Ammonia Solution, Strong SCHEMBL27668328 0.82 TP53 (0.57) CYP3A4TP53CHRM2CHRM1CHRM3
SCHEMBL6181647 0.81 CHRM2 (0.59) CYP3A4TP53CHRM2CHRM1CHRM3
1,3-Diethoxybenzene SCHEMBL1100167 0.80 TP53 (0.71) CYP3A4TP53SMN1; SMN2NQO1LTA4H
SCHEMBL606214 0.80 TP53 (0.60) CYP3A4TP53CHRM2CHRM1CHRM3
SCHEMBL427612 0.80 CHRM2 (0.58) CYP3A4TP53CHRM2CHRM1CHRM3
SCHEMBL2937407 0.80 TP53 (0.55) CYP3A4TP53CHRM2CHRM1CHRM3
SCHEMBL4353971 0.80 CHRM2 (0.58) CYP3A4TP53CHRM2CHRM1CHRM3

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
EP-2496578-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME University of Notre Dame du Lac (US) 2012-09-12 EP claimed
US-20120220457-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME DOW AGROSCIENCES LLC (US) 2012-08-30 US claimed
WO-2011057145-A2 IMIDAZO[1,2-A] PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-05-12 WO claimed
US-10913737-B2 Imidazo [1,2-a]pyridine compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-09 US disclosed
US-20180354944-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-12-13 US disclosed
US-9908876-B2 Imidazo [1,2-a]pyridine compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-03-06 US disclosed
EP-3257854-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME University of Notre Dame du Lac (US) 2017-12-20 EP disclosed
US-20160318925-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-11-03 US disclosed
US-9309238-B2 Imidazo [1,2-a]pyridine compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-04-12 US disclosed
EP-2496578-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME University of Notre Dame du Lac (US) 2012-09-12 EP disclosed
US-20120220457-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME DOW AGROSCIENCES LLC (US) 2012-08-30 US disclosed
WO-2011057145-A2 IMIDAZO[1,2-A] PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-05-12 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 (4 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-10913737-B2 Imidazo [1,2-a]pyridine compounds, synthesis thereof, and methods of using same RIF1, PYCR1, PNMT CYP3A4 1841/4885TP53 1737/4885CHRM2 2430/4885
US-20160318925-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME RIF1, PYCR1, PNMT CYP3A4 1841/4885TP53 1737/4885CHRM2 2430/4885
US-20120220457-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME RIF1, PYCR1, PNMT CYP3A4 1841/4885TP53 1737/4885CHRM2 2430/4885
US-20180354944-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME RIF1, PYCR1, PNMT CYP3A4 1841/4885TP53 1737/4885CHRM2 2430/4885

“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.