SCHEMBL14224933

SCHEMBL14224933

O=C(CN1CCOCC1)Nc1cc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.47
KMT2A Q03164 1/20 0.47
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
PARP1 P09874 1/20 0.44
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EIF4E P06730 2/20 0.40
MGLL Q99685 1/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
WNT1 P04628 1/20 0.38
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL16404010 0.91 POLB (0.55) NPC1RAB9APOLBKMT2AATP4A
SCHEMBL14318317 0.91 POLB (0.49) NPC1RAB9APOLBKMT2APARP1
SCHEMBL14315469 0.90 POLB (0.49) NPC1RAB9APOLBKMT2APARP1
SCHEMBL14224909 0.89 POLB (0.47) POLBKMT2AATP4AATP4BMAPT
SCHEMBL16404019 0.88 POLB (0.49) NPC1RAB9APOLBKMT2APARP1
SCHEMBL14315467 0.88 MGLL (0.51) NPC1RAB9APOLBKMT2AATP4A
SCHEMBL14318378 0.87 MGLL (0.50) NPC1RAB9APOLBKMT2AATP4A
SCHEMBL14150274 0.86 JAK3 (0.51) NPC1POLBKMT2AATP4AATP4B
Hydrochloric Acid SCHEMBL14150343 0.85 JAK3 (0.51) NPC1POLBKMT2AATP4AATP4B
SCHEMBL14318313 0.85 JAK3 (0.51) NPC1POLBKMT2AATP4AATP4B

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 NPC1 3445/4885RAB9A 3104/4885POLB 1554/4885

“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.