SCHEMBL14224911

SCHEMBL14224911

O=C(c1cc(-c2csc(-c3cccnc3)n2)c[nH]1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
CYP19A1 P11511 5/20 0.55
AXL P30530 1/20 0.55
PBRM1 Q86U86 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
USP2 O75604 3/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 4/20 0.53
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GFER P55789 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.52

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
SCHEMBL14224939 0.88 ATP4A (0.61) ATP4AATP4BCYP19A1ALDH1A1MAPT
SCHEMBL14224921 0.84 ATP4A (0.57) ATP4AATP4BALDH1A1MAPTUSP2
SCHEMBL14315466 0.84 ATP4A (0.58) ATP4AATP4BALDH1A1MAPTUSP2
SCHEMBL14224966 0.84 ATP4A (0.56) ATP4AATP4BALDH1A1HPGDNPSR1
SCHEMBL16404137 0.84 ATP4A (0.56) ATP4AATP4BALDH1A1MAPTUSP2
SCHEMBL14224947 0.84 MAPK1 (0.59) ATP4AATP4BCYP19A1MAPTMAPK1
SCHEMBL16404108 0.84 ATP4A (0.56) ATP4AATP4BALDH1A1MAPTMEN1
SCHEMBL14224920 0.83 ATP4A (0.60) ATP4AATP4BCYP19A1ALDH1A1MAPT
SCHEMBL16404008 0.83 ATP4A (0.60) ATP4AATP4BALDH1A1MAPTUSP2
SCHEMBL14224967 0.82 ATP4A (0.57) ATP4AATP4BALDH1A1MAPTHPGD

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 ATP4A 4242/4885ATP4B 4379/4885CYP19A1 4199/4885

“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.