SCHEMBL14224910

SCHEMBL14224910

COc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1NC(=O)CN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
RAD52 P43351 1/20 0.47
GFER P55789 1/20 0.47
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14224909 0.94 POLB (0.47) ALDH1A1RAD52GFERATP4AATP4B
SCHEMBL14318346 0.91 RAD52 (0.50) ALDH1A1RAD52GFERLMNANPC1
SCHEMBL14684782 0.91 ATP4A (0.46) ALDH1A1ATP4AATP4BLMNANPC1
SCHEMBL16404013 0.90 ATP4A (0.49) ALDH1A1RAD52ATP4AATP4BNPC1
SCHEMBL14224960 0.88 ATP4A (0.44) ALDH1A1ATP4AATP4BNPC1RAB9A
SCHEMBL14318345 0.84 POLB (0.49) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL16404010 0.84 POLB (0.55) ALDH1A1ATP4AATP4BLMNANPC1
SCHEMBL14224927 0.83 JAK3 (0.51) ALDH1A1ATP4AATP4BLMNANPC1
SCHEMBL14224933 0.82 NPC1 (0.48) ATP4AATP4BLMNANPC1RAB9A
SCHEMBL14306167 0.82 ATP4A (0.54) ALDH1A1ATP4AATP4BNPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 WO disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 US 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-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 ALDH1A1 4672/4885RAD52 1955/4885GFER 4608/4885

“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.