SCHEMBL14224966

SCHEMBL14224966

Cc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.56
ATP4B P51164 3/20 0.56
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
CDC25C P30307 1/20 0.48
DUSP3 P51452 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
EIF4E P06730 1/20 0.44
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL16404005 0.89 ATP4A (0.59) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL14224939 0.88 ATP4A (0.61) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14325741 0.88 ATP4A (0.54) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL16404137 0.88 ATP4A (0.56) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL14315466 0.88 ATP4A (0.58) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL16404108 0.88 ATP4A (0.56) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL14224947 0.88 MAPK1 (0.59) ATP4AATP4BNPC1RAB9AMAPK1
SCHEMBL14224937 0.87 ATP4A (0.53) ATP4AATP4BNPC1RAB9AALDH1A1
SCHEMBL16404008 0.87 ATP4A (0.60) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14224924 0.86 ATP4A (0.56) ATP4AATP4BNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
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 (2 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 4379/4885CDC25A 587/4885
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA ATP4A 2285/4885ATP4B 3135/4885CDC25A 4441/4885

“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.