SCHEMBL2265835

SCHEMBL2265835

C=Cc1ccc2ncc(CC(=O)OCC)n2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.36
SLC2A2 P11168 1/20 0.36
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL3604567 0.89 TGFBR1 (0.43) TGFBR1KDM4EGLAGAASMN1; SMN2
SCHEMBL2263014 0.82 KDM4E (0.46) TGFBR1KDM4EGLAGAASMN1; SMN2
SCHEMBL2260441 0.82 KDM4E (0.47) TGFBR1KDM4EGLAGAASMN1; SMN2
SCHEMBL4251225 0.81 TGFBR1 (0.62) TGFBR1KDM4EGLAGAAALDH1A1
SCHEMBL3595719 0.79 KDM4E (0.42) TGFBR1KDM4EGLAGAASMN1; SMN2
SCHEMBL3595383 0.78 POLB (0.46) TGFBR1KDM4EGLAGAASMN1; SMN2
SCHEMBL22955492 0.78 TGFBR1 (0.74) TGFBR1KDM4EGLAGAA
SCHEMBL2261118 0.76 MAPK1 (0.49) KDM4EGLAGAASMN1; SMN2RXFP1
SCHEMBL13745783 0.72 TGFBR1 (0.40) TGFBR1ALDH1A1
SCHEMBL18801119 0.71 MAPK1 (0.59) TGFBR1KDM4EGLAGAASMN1; SMN2

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 TGFBR1 1303/4885KDM4E 1308/4885GLA 4475/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TGFBR1 1303/4885KDM4E 1308/4885GLA 4475/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TGFBR1 1303/4885KDM4E 1308/4885GLA 4475/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TGFBR1 1303/4885KDM4E 1308/4885GLA 4475/4885

“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.