SCHEMBL2628950

SCHEMBL2628950

O=C(O)C(=O)c1c[nH]c2cnccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
DYRK1A Q13627 6/20 0.47
GSK3B P49841 3/20 0.47
NFATC1 O95644 3/20 0.47
HASPIN Q8TF76 1/20 0.44
PDPK1 O15530 1/20 0.42
TGFBR1 P36897 1/20 0.42
IKBKE Q14164 1/20 0.42
HAT1 O14929 2/20 0.41
EP300 Q09472 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK2 P24941 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
IGF1R P08069 1/20 0.40
GPR84 Q9NQS5 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
SCHEMBL30101234 0.88 DYRK1A (0.51) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
SCHEMBL2052704 0.88 DYRK1A (0.51) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
SCHEMBL369404 0.87 CYP2C19 (0.48) CYP2D6CYP2C9CYP2C19HASPINHAT1
SCHEMBL3887018 0.85 DYRK1A (0.46) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
Potassium Ion SCHEMBL1762988 0.85 DYRK1A (0.46) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
SCHEMBL1763120 0.81 CYP2D6 (0.45) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
SCHEMBL30924488 0.81 HASPIN (0.64) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
SCHEMBL22300127 0.81 DYRK1A (0.49) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
SCHEMBL3217902 0.81 HASPIN (0.64) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B
SCHEMBL4357845 0.81 ALDH1A1 (0.59) CYP2D6CYP2C9CYP2C19DYRK1AGSK3B

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 WO 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 (9 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2D6 1648/4885CYP2C9 3477/4885CYP2C19 3101/4885
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 CYP2D6 252/4885CYP2C9 905/4885CYP2C19 487/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2D6 1648/4885CYP2C9 3477/4885CYP2C19 3101/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 CYP2D6 172/4885CYP2C9 1182/4885CYP2C19 592/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA CYP2D6 969/4885CYP2C9 2580/4885CYP2C19 1137/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 CYP2D6 252/4885CYP2C9 905/4885CYP2C19 487/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 CYP2D6 172/4885CYP2C9 1182/4885CYP2C19 592/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP CYP2D6 421/4885CYP2C9 1411/4885CYP2C19 710/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 CYP2D6 936/4885CYP2C9 1831/4885CYP2C19 797/4885

“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.