SCHEMBL14224940

SCHEMBL14224940

COc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
ATM Q13315 1/20 0.50
CDC25A P30304 2/20 0.49
CDC25B P30305 2/20 0.49
CDC25C P30307 1/20 0.49
DUSP3 P51452 1/20 0.49
CYP19A1 P11511 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14224938 0.89 CDC25A (0.53) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14224937 0.89 ATP4A (0.53) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404005 0.89 ATP4A (0.59) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14224920 0.87 ATP4A (0.60) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404136 0.87 ATP4A (0.57) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14224968 0.86 ATP4A (0.59) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14224923 0.86 ATP4A (0.59) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL16404003 0.86 ATP4A (0.61) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14224939 0.86 ATP4A (0.61) ATP4AATP4BRAB9AALDH1A1NPC1
SCHEMBL14224943 0.86 ATP4A (0.56) ATP4AATP4BRAB9AALDH1A1NPC1

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 4379/4885RAB9A 3104/4885

“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.