SCHEMBL10069068

SCHEMBL10069068

Bc1ncc(F)c2cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.38
TNF P01375 1/20 0.33
RIPK1 Q13546 1/20 0.33
CHEK1 O14757 1/20 0.32
MAPT P10636 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
AXL P30530 1/20 0.31
PRKCI P41743 1/20 0.31
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
NTRK1 P04629 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
MET P08581 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
SCHEMBL1763170 0.78 NUDT1 (0.37) NUDT1TNFRIPK1MKNK1MKNK2
SCHEMBL2086371 0.78 NUDT1 (0.37) NUDT1TNFRIPK1MKNK1MKNK2
SCHEMBL1763343 0.78 DYRK1A (0.44) NUDT1TNFRIPK1MAPTMKNK1
SCHEMBL2633340 0.78 PIK3C3 (0.41) NUDT1TNFRIPK1AXLPRKCI
SCHEMBL9942599 0.76 AXL (0.41) MAPTAXLPRKCIAURKADAPK3
SCHEMBL9942605 0.76 NUDT1 (0.35) NUDT1TNFRIPK1AXLPRKCI
SCHEMBL2628943 0.74 KDM4E (0.35) NUDT1TNFRIPK1
SCHEMBL2628941 0.74 NUDT1 (0.34) NUDT1TNFRIPK1CCR8
SCHEMBL14671464 0.74 NUDT1 (0.34) NUDT1TNFRIPK1
SCHEMBL27740184 0.74 NUDT1 (0.34) NUDT1TNFRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549313-B9 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-11-21 EP disclosed
EP-1549313-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
EP-1725569-B1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007002308-A9 PROCESS FOR PREPARING TRIAZOLE SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES AND NOVEL SALT FORMS PRODUCED THEREIN BRISTOL MYERS SQUIBB CO (US) 2007-03-01 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 (2 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-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NUDT1 443/4885TNF 839/4885RIPK1 1627/4885
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NUDT1 443/4885TNF 839/4885RIPK1 1627/4885

“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.