SCHEMBL19476160

SCHEMBL19476160

CC(C)c1cccc(C(C)C)c1NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.60
PIK3CA P42336 8/20 0.60
LMNA P02545 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 1/20 0.58
CCKAR P32238 1/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
DRD2 P14416 1/20 0.52
HPGD P15428 1/20 0.52
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL19476164 0.86 CCKAR (0.65) EGFRPIK3CALMNANPC1RAB9A
SCHEMBL19476086 0.82 NPC1 (0.64) EGFRPIK3CALMNANPC1RAB9A
SCHEMBL9848521 0.80
SCHEMBL19476078 0.80 NPC1 (0.61) EGFRPIK3CALMNANPC1RAB9A
SCHEMBL19476098 0.78 NPC1 (0.64) EGFRPIK3CALMNANPC1RAB9A
SCHEMBL19476161 0.78 NPC1 (0.62) EGFRPIK3CALMNANPC1RAB9A
SCHEMBL29949076 0.77 DRD2 (0.68) EGFRPIK3CALMNANPC1RAB9A
SCHEMBL13753384 0.77 DRD2 (0.68) EGFRPIK3CALMNANPC1RAB9A
SCHEMBL2703655 0.76 PDE2A (0.58) EGFRPIK3CALMNAGAAKDM4E
SCHEMBL5827084 0.76 PDE2A (0.58) EGFRPIK3CALMNAGAAKDM4E

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 EGFR 187/4885PIK3CA 2353/4885LMNA 4664/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 EGFR 187/4885PIK3CA 2353/4885LMNA 4664/4885

“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.