SCHEMBL282186

SCHEMBL282186

O=C(O)c1nc(O)c2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.43
MAP2K4 P45985 2/20 0.43
MAPK6 Q16659 2/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
DHODH Q02127 2/20 0.42
SLC6A2 P23975 1/20 0.42
P2RY14 Q15391 1/20 0.42
KMO O15229 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPKAPK3 Q16644 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PARP1 P09874 1/20 0.40
SRD5A2 P31213 1/20 0.40
MPL P40238 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL27845948 0.89 KDM4E (0.45) KDM4EMAPK1MAP2K4MAPK6MAPKAPK5
SCHEMBL162796 0.81 ESR1 (0.45) KDM4EMAPK1MAP2K4MAPK6MAPKAPK5
SCHEMBL282278 0.80 DHODH (0.40) KDM4EMAPK1MAP2K4MAPK6DHODH
SCHEMBL3911390 0.79 KDM4E (0.50) KDM4EMAPK1MAP2K4MAPK6MAPKAPK3
SCHEMBL2904601 0.79 IGFBP3 (0.50) KDM4EMAPK1MAP2K4MAPK6MAPKAPK5
SCHEMBL281875 0.76 CHEK1 (0.42) KDM4EMAPK1SLC6A2ALDH1A1HPGD
SCHEMBL899555 0.76 KDM4E (0.47) KDM4ESLC6A2P2RY14PARP1MEN1
SCHEMBL22805613 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL13099484 0.76 POLB (0.45) MAP2K4DHODHKMOALDH1A1HPGD
SCHEMBL20784 0.75 DHODH (0.51) KDM4EMAPK1MAP2K4MAPK6MAPKAPK5

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
US-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US disclosed
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 EP disclosed
CN-101671301-B Heterocyclic substituent acardite derivate and application thereof JIANGSU PROVINCIAL INST OF MATERIA MEDICA CO LTD 2014-02-26 CN disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 EP disclosed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 US disclosed
CN-101671301-A Heterocyclic substituent acardite derivate and application thereof JIANGSU PROVINCIAL INST OF MAT 2010-03-17 CN 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-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 KDM4E 1618/4885MAPK1 3213/4885MAP2K4 3937/4885

“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.