SCHEMBL3333407

SCHEMBL3333407

N#Cc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.68
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
CHEK2 O96017 6/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
APP P05067 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
SNCA P37840 1/20 0.51
NFKB2 Q00653 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
SCHEMBL9032508 0.91 RHEB (0.72) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL15245075 0.90 RHEB (0.70) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL3341423 0.88 PKN1 (0.72) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL1842216 0.85 PKN1 (0.59) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL1842081 0.85 RHEB (0.59) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL19994470 0.85 RHEB (0.59) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL8412123 0.85 RHEB (0.59) RHEBPKN1PKN2CHEK2DGAT1
SCHEMBL28267390 0.85 CHEK2 (0.61) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL20982583 0.84 RHEB (0.70) RHEBPKN1PKN2CHEK2ALDH1A1
SCHEMBL15245088 0.84 RHEB (0.55) RHEBPKN1PKN2CHEK2ALDH1A1

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-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
WO-2008140239-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 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 (1 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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 RHEB 1201/4885PKN1 2634/4885PKN2 2226/4885

“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.