Sugi Predict

Sugi Predict / Compounds / SCHEMBL19476114

SCHEMBL19476114

SCHEMBL19476114

Cc1ccc2ccccc2c1NC(=O)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ11 Q14654 3/20 0.44
▸ ABCC9 O60706 2/20 0.44
▸ ABCC8 Q09428 2/20 0.44
▸ KCNJ8 Q15842 2/20 0.44
▸ GID4 Q8IVV7 1/20 0.43
▸ KHK P50053 1/20 0.43
▸ SCN4A P35499 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ELANE P08246 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ WNT1 P04628 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40

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
SCHEMBL19476123 0.96 KCNJ11 (0.45) KCNJ11ABCC9ABCC8KCNJ8GID4
SCHEMBL7517031 0.84 KDM4E (0.50) KCNJ11ABCC9ABCC8KCNJ8KHK
SCHEMBL10327184 0.84 ROCK2 (0.50) KCNJ11ABCC9ABCC8KCNJ8GID4
SCHEMBL17676977 0.84 ROCK2 (0.50) KCNJ11ABCC9ABCC8KCNJ8GID4
SCHEMBL17676985 0.84 ROCK2 (0.50) KCNJ11ABCC9ABCC8KCNJ8GID4
SCHEMBL18485520 0.83 SCN4A (0.56) GID4KHKSCN4AMEN1KMT2A
Hydrochloric Acid SCHEMBL28152183 0.81 SCN4A (0.55) GID4KHKSCN4AMEN1KMT2A
SCHEMBL12348757 0.80 ROCK2 (0.48) KHKROCK2ELANEHTR2CHTR2B
SCHEMBL17676967 0.79 SMN1; SMN2 (0.62) ROCK2MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL10326974 0.79 SMN1; SMN2 (0.62) ROCK2MEN1KMT2ASMN1; SMN2CYP1A2

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 3 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
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.