SCHEMBL2866192

SCHEMBL2866192

CC(C)CCNc1ccc(C#N)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
EGLN2 Q96KS0 1/20 0.40
KAT2B Q92831 1/20 0.39
PRSS1 P07477 8/20 0.36
NAMPT P43490 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER4 P35408 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34

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
SCHEMBL1206785 0.83 KDM4E (0.51) KDM4EALDH1A1GAAKAT2BPRSS1
SCHEMBL31069432 0.83 KDM4E (0.51) KDM4EALDH1A1GAAKAT2BPRSS1
SCHEMBL29519346 0.80 KDM4E (0.51) KDM4EALDH1A1GAAKAT2BPRSS1
SCHEMBL6187977 0.80 KDM4E (0.51) KDM4EALDH1A1GAAKAT2BPRSS1
SCHEMBL2083380 0.79 KDM4E (0.54) KDM4EALDH1A1GAAEGLN2KAT2B
SCHEMBL24320215 0.79 PTGER4 (0.56) KDM4EALDH1A1GAAEGLN2KAT2B
SCHEMBL7183036 0.79 ALDH1A1 (0.48) KDM4EALDH1A1GAAEGLN2KAT2B
SCHEMBL13077885 0.78 EGLN2 (0.38) KDM4EALDH1A1GAAEGLN2KAT2B
SCHEMBL6216931 0.77 ALDH1A1 (0.49) KDM4EALDH1A1GAAKAT2BPRSS1
SCHEMBL7740540 0.76 HDAC1 (0.41) PRSS1HDAC6PTGER4

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 KDM4E 3678/4885ALDH1A1 2596/4885GAA 3473/4885

“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.