SCHEMBL1733762

SCHEMBL1733762

O=C(C(=O)N1CCNCC1)c1n[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.59
BMPR1B O00238 1/20 0.51
PLK4 O00444 1/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
RIOK3 O14730 1/20 0.51
CHEK1 O14757 1/20 0.51
IKBKB O14920 1/20 0.51
AURKA O14965 1/20 0.51
GAK O14976 1/20 0.51
DCLK1 O15075 1/20 0.51
CHUK O15111 1/20 0.51
MUSK O15146 1/20 0.51
EPHB6 O15197 1/20 0.51
PDPK1 O15530 1/20 0.51
MAP3K13 O43283 1/20 0.51
DAPK3 O43293 1/20 0.51
MAP3K7 O43318 1/20 0.51
RIPK2 O43353 1/20 0.51
JAK2 O60674 1/20 0.51

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
SCHEMBL4065876 0.83 FLT3 (0.58) FLT3MAPK8MAPK10CTNNB1WNT3A
SCHEMBL29336443 0.76 FLT3 (0.54) FLT3BMPR1BPLK4STK25CIT
SCHEMBL1472881 0.74 CTNNB1 (0.64) FLT3MAP2K4CTNNB1WNT3AKDM4E
SCHEMBL21855639 0.74 FLT3 (0.65) FLT3MAPK8MAPK10AHRKDM4E
SCHEMBL3994500 0.73 POLB (0.77) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL6114106 0.72 FLT3 (0.67) FLT3MAPK8MAPK10AHRKDM4E
Potassium Ion SCHEMBL2688939 0.72 KDM4E (0.63) FLT3CTNNB1WNT3AKDM4EYTHDC1
SCHEMBL1762971 0.72 KDM4E (0.58) FLT3CTNNB1WNT3AKDM4EYTHDC1
SCHEMBL6954648 0.72 HTR1A (0.65) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28477124 0.71 ALDH1A1 (0.60) FLT3AHRKDM4EYTHDC1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943221-B1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
EP-1943221-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2008-07-16 EP disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
WO-2007041616-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (1 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-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 FLT3 2831/4885BMPR1B 4261/4885PLK4 831/4885

“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.