SCHEMBL2262385

SCHEMBL2262385

CCCCOC(OCCCC)c1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KAT2B Q92831 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL4573202 0.85 MAPK1 (0.44) MAPTLMNAKMT2AMAPK1TSHR
SCHEMBL633527 0.85 TDP1 (0.44) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL1803434 0.81 ALDH1A1 (0.47) MAPTLMNAKMT2AMAPK1TSHR
SCHEMBL21577681 0.79 MAPT (0.40) MAPTLMNAKMT2AMAPK1CYP3A4
SCHEMBL30194863 0.77 MAPT (0.41) MAPTLMNAKMT2AMAPK1TSHR
SCHEMBL30194794 0.77 MAPT (0.41) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL1339942 0.77 ALDH1A1 (0.57) MAPTLMNAKMT2AMAPK1CYP3A4
SCHEMBL11200193 0.76 ALDH1A1 (0.44) MAPTLMNAKMT2AMAPK1TSHR
SCHEMBL11852860 0.72 TSHR (0.62) MAPTLMNAKMT2ACYP3A4TSHR
SCHEMBL1342619 0.72 ALDH1A1 (0.57) MAPTLMNAKMT2AMAPK1CYP3A4

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 16 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
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN 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 MAPT 4610/4885LMNA 3305/4885KMT2A 1752/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MAPT 4610/4885LMNA 3305/4885KMT2A 1752/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MAPT 4610/4885LMNA 3305/4885KMT2A 1752/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MAPT 4610/4885LMNA 3305/4885KMT2A 1752/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 MAPT 2735/4885LMNA 3981/4885KMT2A 880/4885

“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.