SCHEMBL5376933

SCHEMBL5376933

NCCCNc1nc2cncnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
CHEK1 O14757 2/20 0.40
CHEK2 O96017 1/20 0.40
BCHE P06276 1/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC4 Q9UBN4 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LATS1 O95835 3/20 0.34
LATS2 Q9NRM7 2/20 0.34
TSHR P16473 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
STK17A Q9UEE5 3/20 0.32
STK17B O94768 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 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
SCHEMBL8826298 0.83 ALDH1A1 (0.46) BCHETRPC3TRPC4TRPC5LATS1
SCHEMBL5382890 0.76 BCHE (0.48) PIM1CHEK1CHEK2BCHETRPC3
SCHEMBL2053065 0.75 ALDH1A1 (0.47) KDM4C
SCHEMBL9654498 0.73 EGFR (0.40) KDM4C
SCHEMBL5394585 0.73 CHEK1 (0.50) PIM1CHEK1CHEK2BCHETRPC3
SCHEMBL5934943 0.73 RAB9A (0.57) PIM1TSHR
SCHEMBL5388762 0.71 PIM1 (0.45) PIM1CHEK1CHEK2HRH3KDM4C
SCHEMBL17513341 0.71 PIM1 (0.42) PIM1BCHETRPC3TRPC4TRPC5
SCHEMBL6034415 0.70 BCHE (0.72) BCHETRPC3TRPC4TRPC5TDP1
SCHEMBL13804704 0.69 PIM1 (0.43) PIM1BCHETRPC3TRPC4TRPC5

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
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 US disclosed
EP-1581220-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-10-05 EP disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 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 (3 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 PIM1 2312/4885CHEK1 4422/4885CHEK2 4329/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 PIM1 2435/4885CHEK1 4331/4885CHEK2 4076/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 PIM1 2306/4885CHEK1 4446/4885CHEK2 4248/4885

“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.