SCHEMBL14224939

SCHEMBL14224939

O=C(c1cc(-c2csc(-c3ccccc3)n2)c[nH]1)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.61
ATP4B P51164 2/20 0.61
EIF4E P06730 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 2/20 0.46
MAPK10 P53779 1/20 0.46
CDC25A P30304 1/20 0.45

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
SCHEMBL14224920 0.90 ATP4A (0.60) ATP4AATP4BEIF4ESMN1; SMN2RAB9A
SCHEMBL16404003 0.89 ATP4A (0.61) ATP4AATP4BEIF4ESMN1; SMN2RAB9A
SCHEMBL14224923 0.89 ATP4A (0.59) ATP4AATP4BEIF4ERAB9AALDH1A1
SCHEMBL16404005 0.89 ATP4A (0.59) ATP4AATP4BEIF4ESMN1; SMN2RAB9A
SCHEMBL14224968 0.89 ATP4A (0.59) ATP4AATP4BEIF4ESMN1; SMN2RAB9A
SCHEMBL14224966 0.88 ATP4A (0.56) ATP4AATP4BEIF4ERAB9AALDH1A1
SCHEMBL16404137 0.88 ATP4A (0.56) ATP4AATP4BEIF4ERAB9AALDH1A1
SCHEMBL14224947 0.88 MAPK1 (0.59) ATP4AATP4BEIF4ESMN1; SMN2RAB9A
SCHEMBL16404108 0.88 ATP4A (0.56) ATP4AATP4BEIF4ESMN1; SMN2RAB9A
SCHEMBL14224911 0.88 ATP4A (0.56) ATP4AATP4BRAB9AALDH1A1MAPT

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 4379/4885EIF4E 568/4885

“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.