SCHEMBL2260650

SCHEMBL2260650

CCCNCc1cccc2cc[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AHR P35869 1/20 0.41
BCHE P06276 2/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BACE1 P56817 1/20 0.38
TERT O14746 1/20 0.37
KEAP1 Q14145 1/20 0.37
BRD4 O60885 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
SCHEMBL11478614 0.87 HTR2A (0.51) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL1395817 0.84 HTR2A (0.52) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL1253321 0.80 HTR2A (0.47) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL1452618 0.78 AHR (0.47) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL4985160 0.77 PKM (0.47) HTR2AHTR2CAHRBCHEKEAP1
SCHEMBL593512 0.77 AHR (0.50) NR3C1PGRNR3C2ARAHR
SCHEMBL2259268 0.76 HTR2A (0.45) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL23023182 0.76 HTR2A (0.46) HTR2AHTR2CMAOAMAOBAHR
Methane SCHEMBL27929614 0.75 AHR (0.48) NR3C1PGRNR3C2ARAHR
SCHEMBL31370047 0.75 KEAP1 (0.49) HTR2AHTR2CNR3C1PGRNR3C2

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 12 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
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
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-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 HTR2A 2846/4885HTR2C 2553/4885NR3C1 2238/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 HTR2A 2846/4885HTR2C 2553/4885NR3C1 2238/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 HTR2A 2846/4885HTR2C 2553/4885NR3C1 2238/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 HTR2A 2846/4885HTR2C 2553/4885NR3C1 2238/4885

“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.