SCHEMBL2260764

SCHEMBL2260764

N#CCc1ccc([N+](=O)[O-])c2ccoc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.36
CTSB P07858 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.32
PAX8 Q06710 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL2263808 0.73 ESR1 (0.35)
SCHEMBL2263928 0.73 ESR2 (0.39)
SCHEMBL24947186 0.73 ESR1 (0.36)
SCHEMBL2260017 0.71 SMN1; SMN2 (0.45) ALDH1A1LMNACTSBTDP1PAX8
SCHEMBL2261006 0.70 RXFP1 (0.39) ALDH1A1HPGDLMNAHTT
SCHEMBL2080664 0.70 ALDH1A1 (0.57) ALDH1A1HPGDLMNATDP1EGFR
SCHEMBL2264564 0.70 ALDH1A1 (0.38) ALDH1A1HPGDLMNA
SCHEMBL10477069 0.69 ALDH1A1 (0.60) ALDH1A1HPGDLMNATDP1EGFR
SCHEMBL27953902 0.69 LMNA (0.37) CYP19A1LMNAPAX8
SCHEMBL27755136 0.68 ALDH1A1 (0.54) ALDH1A1HPGDLMNATDP1EGFR

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 18 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
CN-1312154-C Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2007-04-25 CN 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-1639165-A Purine derivatives as kinase inhibitors LILLY CO ELI (US) 2005-07-13 CN 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 ALDH1A1 1688/4885HPGD 1532/4885CYP19A1 3573/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 ALDH1A1 1688/4885HPGD 1532/4885CYP19A1 3573/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 ALDH1A1 1688/4885HPGD 1532/4885CYP19A1 3573/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 ALDH1A1 1688/4885HPGD 1532/4885CYP19A1 3573/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 ALDH1A1 3292/4885HPGD 3767/4885CYP19A1 1053/4885

“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.