SCHEMBL1763079

SCHEMBL1763079

COc1cnc(Cl)c2[nH]c(C)c(C(=O)C(=O)O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.33
HPGD P15428 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MAPT P10636 4/20 0.32
POLB P06746 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 1/20 0.31
RECQL P46063 2/20 0.31
HTT P42858 3/20 0.31
MAPK1 P28482 2/20 0.31
TSHR P16473 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7063072 0.84 GABRA1 (0.34) KMT2AMEN1HPGDMAPTPOLB
SCHEMBL1763552 0.81 ADRA2A (0.33)
SCHEMBL2628952 0.75 CYP2C9 (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL6356783 0.70 DYRK1A (0.39) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL12215466 0.67 CYP2C9 (0.44) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL3989271 0.66 KDM6B (0.36) KMT2AHPGDKDM4EGAALMNA
Potassium Ion SCHEMBL1763584 0.66 CYP2C9 (0.43) KMT2AMEN1HPGDMAPTKDM4E
SCHEMBL7063069 0.65 CYP2C9 (0.41) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL12238398 0.65 CYP2C9 (0.47) KMT2AHPGDKDM4EALDH1A1CYP2C9
SCHEMBL1763315 0.65 DAO (0.31)

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 4 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-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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 (4 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 KMT2A 2420/4885MEN1 4800/4885HPGD 1295/4885
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KMT2A 2166/4885MEN1 4783/4885HPGD 936/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KMT2A 2166/4885MEN1 4783/4885HPGD 936/4885
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KMT2A 2166/4885MEN1 4783/4885HPGD 936/4885

“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.