SCHEMBL1763382

SCHEMBL1763382

Cc1[nH]c2c(Cl)ccnc2c1C(=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
DAO P14920 1/20 0.37
AURKA O14965 1/20 0.33
KDM4A O75164 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAPT P10636 2/20 0.31
MMP2 P08253 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMO O15229 1/20 0.30
CYP19A1 P11511 1/20 0.30
HIF1A Q16665 1/20 0.30
DYRK1A Q13627 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL12817477 0.88 KDM5A (0.44) KDM5AKDM4CDAOAURKAKDM4A
SCHEMBL7063136 0.84 KDM4E (0.33) KDM5AKDM4CKDM4AMAPTGAA
SCHEMBL9105873 0.79 MAPT (0.45) MAPTLMNAGAA
SCHEMBL6356783 0.77 DYRK1A (0.39) KDM5AKDM4CKDM4AKDM5BMAPT
SCHEMBL7064351 0.73 ADORA3 (0.41) MAPTLMNAGAAHTT
SCHEMBL19997517 0.73 DAO (0.41) KDM5AKDM4CDAOAURKAMAPT
SCHEMBL1472608 0.71 KDM5A (0.56) KDM5AKDM4CDAOKDM4ALMNA
SCHEMBL12817480 0.71 KDM4E (0.37) KDM5AKDM4CDAOKDM4AKDM5B
SCHEMBL1763903 0.71 DYRK1A (0.35) MAPTGAAKDM4ECYP19A1DYRK1A
SCHEMBL1763698 0.71 ALDH1A1 (0.38) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-1638568-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-11-24 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 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 (6 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-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 173/4885KDM4C 518/4885DAO 202/4885
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM5A 275/4885KDM4C 837/4885DAO 172/4885
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS MALT1, BCL6, CD4 KDM5A 524/4885KDM4C 557/4885DAO 924/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM5A 275/4885KDM4C 837/4885DAO 172/4885
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM5A 275/4885KDM4C 837/4885DAO 172/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 KDM5A 288/4885KDM4C 734/4885DAO 1568/4885

“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.