SCHEMBL3570127

SCHEMBL3570127

COc1cnc(O)c2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.36
SMPD3 Q9NY59 1/20 0.35
CFB P00751 3/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
ABL1 P00519 1/20 0.33
RAD52 P43351 1/20 0.33
RIN1 Q13671 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
MITF O75030 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
SCHEMBL10292445 0.81 PIK3C3 (0.39) BRD4CFBABL1RAD52RIN1
SCHEMBL10326422 0.81 ABL1 (0.37) BRD4CFBJAK2JAK1TYK2
SCHEMBL1473221 0.81 BRD4 (0.40) BRD4CFBABL1RAD52RIN1
Hydrochloric Acid SCHEMBL3558795 0.79 BRD4 (0.39) BRD4CFBABL1RAD52RIN1
SCHEMBL1473430 0.79 DYRK1A (0.41) BRD4CFB
SCHEMBL1472560 0.79 BRD4 (0.37) BRD4CFBJAK1TYK2ABL1
SCHEMBL12828491 0.78 DYRK1A (0.42) BRD4CFBJAK2JAK1TYK2
SCHEMBL12829101 0.78 DYRK1A (0.39) BRD4JAK2JAK1TYK2JAK3
SCHEMBL12751214 0.78 CDK9 (0.39) CFBJAK2JAK1TYK2JAK3
SCHEMBL1473045 0.77 CFB (0.40) BRD4CFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2013170-B1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
EP-2013170-B1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 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-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 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
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007127731-A1 4-SQUARYLPIPERAZINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249624-A1 4-Squarylpiperazine 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
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS BRD4 1331/4885SMPD3 1039/4885CFB 4668/4885
US-20070249624-A1 4-Squarylpiperazine Derivatives as Antiviral Agents MAVS, MTAP, SAMHD1 BRD4 1165/4885SMPD3 17/4885CFB 4390/4885

“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.