SCHEMBL2262200

SCHEMBL2262200

CCNC=Cc1ccc([N+](=O)[O-])c2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BACE1 P56817 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NSD2 O96028 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
VCAM1 P19320 1/20 0.31
POLB P06746 2/20 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 0.78 LMNA (0.37) LMNAALDH1A1NPC1RAB9ABACE1
SCHEMBL2262199 0.77 LMNA (0.37) LMNAALDH1A1NPC1RAB9AMAPT
SCHEMBL2260017 0.70 SMN1; SMN2 (0.45) LMNAALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL2260764 0.63 ALDH1A1 (0.50) LMNAALDH1A1CYP19A1
SCHEMBL4992504 0.62 SIRT6 (0.45) LMNAALDH1A1MAPTMAPK1KMT2A
SCHEMBL1055128 0.60 TDP1 (0.48) LMNAALDH1A1MAPK1KMT2AVCAM1
SCHEMBL8159648 0.60 VCAM1 (0.43) LMNAALDH1A1CYP19A1MAPTMAPK1
SCHEMBL27865031 0.60 LMNA (0.41) LMNAALDH1A1CYP19A1MAPTMAPK1
SCHEMBL29390318 0.60 TDP1 (0.48) LMNAALDH1A1MAPK1KMT2AVCAM1
SCHEMBL28357320 0.60 ALDH1A1 (0.45) LMNAALDH1A1NPC1RAB9AMAPT

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 10 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
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 EP disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 3305/4885ALDH1A1 1688/4885NPC1 2000/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 LMNA 3305/4885ALDH1A1 1688/4885NPC1 2000/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 LMNA 3305/4885ALDH1A1 1688/4885NPC1 2000/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 LMNA 3305/4885ALDH1A1 1688/4885NPC1 2000/4885

“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.