SCHEMBL281875

SCHEMBL281875

Nc1ccc2c(O)nc(C(=O)O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MDM4 O15151 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
THRB P10828 3/20 0.41
CYP3A4 P08684 2/20 0.41
KDR P35968 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41

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
SCHEMBL282278 0.80 DHODH (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13099484 0.80 POLB (0.45) DYRK1AKMT2AALDH1A1HPGDCASP7
SCHEMBL11209268 0.77 MDM4 (0.52) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL20352579 0.77 SMN1; SMN2 (0.47) MAPTKDM4EALDH1A1ALOX15LMNA
SCHEMBL282186 0.76 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL17154426 0.75 MDM4 (0.50) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL11690458 0.74 NQO2 (0.53) MDM4MEN1KMT2AKDM4ETHRB
SCHEMBL20352243 0.71 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDCASP7
SCHEMBL6299611 0.70 MGAM (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27585877 0.69 KDM4E (0.47) CHEK1AURKACSNK1A1CDK8NEK2

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 CHEK1 1670/4885AURKA 260/4885CSNK1A1 1095/4885

“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.