SCHEMBL19476164

SCHEMBL19476164

CC(C)c1ccccc1NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 2/20 0.65
EGFR P00533 4/20 0.60
PIK3CA P42336 4/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
CCKBR P32239 1/20 0.54

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
SCHEMBL19476160 0.86 EGFR (0.60) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL19476162 0.82 NPC1 (0.64) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL10562380 0.80 NPC1 (0.66) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL19476096 0.80 NPC1 (0.61) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL19476088 0.80 NPC1 (0.61) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL19476097 0.79 NPC1 (0.64) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL12651781 0.78 NPC1 (0.59) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL19476165 0.78 NPC1 (0.64) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL19476083 0.78 NPC1 (0.59) CCKAREGFRPIK3CANPC1RAB9A
SCHEMBL13701154 0.78 NHERF1 (0.74) CCKARNPC1RAB9ALMNASMN1; SMN2

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 CCKAR 86/4885EGFR 187/4885PIK3CA 2353/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 CCKAR 86/4885EGFR 187/4885PIK3CA 2353/4885

“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.