SCHEMBL1763902

SCHEMBL1763902

COC(=O)C(=O)c1c[nH]c2c(Br)nccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.40
MAP2K1 Q02750 1/20 0.40
AXL P30530 4/20 0.34
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
DYRK1A Q13627 1/20 0.32
HPGD P15428 1/20 0.32
NUDT1 P36639 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HTR2C P28335 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7063086 0.83 NR4A2 (0.40) NR4A2MAP2K1AXLBRPF1CREBBP
SCHEMBL1763185 0.83 NR4A2 (0.45) NR4A2MAP2K1AXLBRPF1CREBBP
SCHEMBL2628954 0.82 KDM5A (0.38) NR4A2MAP2K1BRPF1ALDH1A1KDM4E
Potassium Ion SCHEMBL1763332 0.81 KDM5A (0.34) NR4A2MAP2K1BRPF1ALDH1A1KDM5A
SCHEMBL1763541 0.81 KDM5A (0.37) NR4A2MAP2K1BRPF1ALDH1A1KDM5A
Potassium SCHEMBL1763544 0.81 KDM5A (0.37) NR4A2MAP2K1BRPF1ALDH1A1KDM5A
SCHEMBL26699761 0.77 NR4A2 (0.44) NR4A2BRPF1CREBBPALOX5ALDH1A1
SCHEMBL6029970 0.77 NR4A2 (0.51) NR4A2MAP2K1BRPF1CREBBPALOX5
SCHEMBL7063133 0.76 KDM5A (0.38) NR4A2MAP2K1AXLCREBBPALDH1A1
SCHEMBL1763380 0.73 KDM5A (0.48) NR4A2MAP2K1AXLALDH1A1KDM4E

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 NR4A2 2916/4885MAP2K1 2477/4885AXL 4184/4885
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NR4A2 3852/4885MAP2K1 2093/4885AXL 3245/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NR4A2 3852/4885MAP2K1 2093/4885AXL 3245/4885
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NR4A2 3852/4885MAP2K1 2093/4885AXL 3245/4885

“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.