SCHEMBL2086371

SCHEMBL2086371

Nc1ncc(F)c2cc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
TRPA1 O75762 4/20 0.33
BTK Q06187 3/20 0.33
MAP4K4 O95819 2/20 0.33
DYRK1A Q13627 2/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33

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
SCHEMBL22509925 0.85 NUDT1 (0.37) NUDT1MKNK1MKNK2TRPA1BTK
SCHEMBL10069068 0.78 NUDT1 (0.38) NUDT1MKNK1MKNK2TRPA1BTK
SCHEMBL9942605 0.78 NUDT1 (0.35) NUDT1TRPA1BTKMAP4K4DYRK1A
SCHEMBL2633340 0.77 PIK3C3 (0.41) NUDT1TRPA1BTKMAP4K4DYRK1A
SCHEMBL1763343 0.77 DYRK1A (0.44) NUDT1MKNK1MKNK2DYRK1ATNF
SCHEMBL1763170 0.77 NUDT1 (0.37) NUDT1MKNK1MKNK2TNFRIPK1
SCHEMBL17788994 0.74 BTK (0.45) NUDT1BTKJAK2PRKCI
SCHEMBL2628943 0.73 KDM4E (0.35) NUDT1TNFRIPK1
SCHEMBL14671464 0.73 NUDT1 (0.34) NUDT1TNFRIPK1
SCHEMBL2628941 0.73 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 WO disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
CN-101432278-B Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO 2012-11-28 CN disclosed
EP-1907389-B1 PROCESS FOR PREPARING TRIAZOLE SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES AND NOVEL SALT FORMS PRODUCED THEREIN BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
EP-1907389-B1 PROCESS FOR PREPARING TRIAZOLE SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES AND NOVEL SALT FORMS PRODUCED THEREIN BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
US-7968718-B2 Process for preparing triazole substituted azaindoleoxoacetic piperazine derivatives and novel salt forms produced therein BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968718-B2 Process for preparing triazole substituted azaindoleoxoacetic piperazine derivatives and novel salt forms produced therein BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968718-B2 Process for preparing triazole substituted azaindoleoxoacetic piperazine derivatives and novel salt forms produced therein BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US 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
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
WO-2007002308-A2 PROCESS FOR PREPARING TRIAZOLE SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES AND NOVEL SALT FORMS PRODUCED THEREIN BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002308-A2 PROCESS FOR PREPARING TRIAZOLE SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES AND NOVEL SALT FORMS PRODUCED THEREIN BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293304-A1 Process for preparing triazole substituted azaindoleoxoacetic piperazine derivatives and novel salt forms produced therein BRISTOL-MYERS SQUIBB COMPANY 2006-12-28 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 (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-20060293304-A1 Process for preparing triazole substituted azaindoleoxoacetic piperazine derivatives and novel salt forms produced therein NAT1, NISCH, AZI2 NUDT1 240/4885MKNK1 986/4885MKNK2 627/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS NUDT1 438/4885MKNK1 215/4885MKNK2 237/4885

“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.