SCHEMBL19476123

SCHEMBL19476123

Cc1ccc2ccccc2c1NC(=O)C1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 3/20 0.45
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ8 Q15842 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ULK1 O75385 1/20 0.42
WNT1 P04628 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
GID4 Q8IVV7 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
KHK P50053 1/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL19476114 0.96 KCNJ11 (0.44) KCNJ11ABCC9ABCC8KCNJ8TAS1R3
SCHEMBL2616379 0.83 EPHX1 (0.51) ULK1GID4CYP3A4CYP2D6CYP2C9
SCHEMBL3261012 0.83 EPHX1 (0.51) ULK1GID4CYP3A4CYP2D6CYP2C9
SCHEMBL15428917 0.83 EPHX1 (0.51) ULK1GID4CYP3A4CYP2D6CYP2C9
SCHEMBL22305262 0.82 EPHX1 (0.54) ULK1GID4CYP3A4CYP2D6CYP2C9
SCHEMBL22305592 0.82 ULK1 (0.44) ULK1WNT1GSK3BDYRK1AGID4
SCHEMBL28153112 0.82 ULK1 (0.44) ULK1WNT1GSK3BDYRK1AGID4
SCHEMBL22306340 0.82 EPHX1 (0.54) ULK1GID4CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL31222008 0.82 SCN4A (0.50) ULK1GID4CYP3A4CYP2D6CYP2C9
SCHEMBL7517031 0.81 KDM4E (0.50) KCNJ11ABCC9ABCC8KCNJ8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 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 (2 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-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 KCNJ11 3132/4885ABCC9 2502/4885ABCC8 2905/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 KCNJ11 3132/4885ABCC9 2502/4885ABCC8 2905/4885

“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.