SCHEMBL2262199

SCHEMBL2262199

CN(C)C=Cc1ccc([N+](=O)[O-])c2ccoc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPT P10636 6/20 0.36
MMP14 P50281 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PTGS2 P35354 3/20 0.35
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.32
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL2260698 0.81 LMNA (0.37) LMNAMAPTRAB9APOLBGAA
SCHEMBL2262200 0.77 LMNA (0.38) LMNAMAPTRAB9APOLBALDH1A1
SCHEMBL2260017 0.72 SMN1; SMN2 (0.45) LMNAMAPTALDH1A1KMT2ATDP1
SCHEMBL13602996 0.70 MAPT (0.46) LMNAMAPTMMP14RAB9APOLB
SCHEMBL8530147 0.69 MAPT (0.56) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL420971 0.69 MAPT (0.56) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL28357320 0.69 ALDH1A1 (0.45) LMNAMAPTRAB9APOLBALDH1A1
SCHEMBL12367389 0.69 TSHR (0.53) MAPTMMP14RAB9APOLBGAA
SCHEMBL11264895 0.69 TSHR (0.53) MAPTRAB9AGAAPTGS2ALDH1A1
SCHEMBL8957884 0.69 ALDH1A1 (0.61) MAPTRAB9APOLBPTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 US disclosed
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 US disclosed
EP-1487822-A2 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
EP-1483265-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-12-08 EP disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
WO-2003076398-A2 PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 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 (5 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-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 LMNA 3305/4885MAPT 4610/4885MMP14 4661/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 LMNA 3305/4885MAPT 4610/4885MMP14 4661/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 LMNA 3305/4885MAPT 4610/4885MMP14 4661/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 LMNA 3305/4885MAPT 4610/4885MMP14 4661/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 LMNA 3981/4885MAPT 2735/4885MMP14 3148/4885

“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.