SCHEMBL2260017

SCHEMBL2260017

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.41
TSHR P16473 7/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
CTSB P07858 2/20 0.37
CTSH P09668 1/20 0.37
PAX8 Q06710 1/20 0.36

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
SCHEMBL806473 0.74 CYP1A2 (0.39) SMN1; SMN2MEN1KMT2ALMNACYP3A4
SCHEMBL31120928 0.74 CYP1A2 (0.39) SMN1; SMN2MEN1KMT2ALMNACYP3A4
SCHEMBL28754472 0.74 TSHR (0.37) SMN1; SMN2MEN1KMT2ALMNAHSD17B10
SCHEMBL31484441 0.72 LMNA (0.39) SMN1; SMN2MEN1KMT2ALMNAHSD17B10
SCHEMBL2262199 0.72 LMNA (0.37) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL2260698 0.72 LMNA (0.37) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL27865031 0.71 LMNA (0.41) SMN1; SMN2LMNAHSD17B10TSHRCYP3A4
SCHEMBL1055128 0.71 TDP1 (0.48) MEN1KMT2ALMNAHSD17B10TSHR
SCHEMBL8159648 0.71 VCAM1 (0.43) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL29390318 0.71 TDP1 (0.48) MEN1KMT2ALMNAHSD17B10TSHR

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-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN disclosed
CN-1639165-A Purine derivatives as kinase 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 SMN1; SMN2 4465/4885MEN1 3239/4885KMT2A 1752/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 SMN1; SMN2 4465/4885MEN1 3239/4885KMT2A 1752/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 SMN1; SMN2 4465/4885MEN1 3239/4885KMT2A 1752/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 SMN1; SMN2 4465/4885MEN1 3239/4885KMT2A 1752/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 SMN1; SMN2 4318/4885MEN1 1394/4885KMT2A 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.