SCHEMBL2259268

SCHEMBL2259268

C=CCNCc1cccc2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
BACE1 P56817 1/20 0.40
AHR P35869 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KEAP1 Q14145 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
PDPK1 O15530 1/20 0.35

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
Indole SCHEMBL7539426 0.92 AHR (0.45) HTR2AHTR2CBACE1AHRADORA2A
SCHEMBL11478614 0.79 HTR2A (0.51) HTR2AHTR2CBACE1AHRADORA2A
SCHEMBL10759141 0.78 AHR (0.46) BACE1AHRKEAP1PDPK1
SCHEMBL4985160 0.76 PKM (0.47) HTR2AHTR2CAHRKEAP1
SCHEMBL1395817 0.76 HTR2A (0.52) HTR2AHTR2CBACE1AHRADORA2A
SCHEMBL2260650 0.76 HTR2A (0.55) HTR2AHTR2CBACE1AHRADORA2A
SCHEMBL1253321 0.75 HTR2A (0.47) HTR2AHTR2CBACE1AHRADORA2A
SCHEMBL28743556 0.74 NR3C1 (0.47) BACE1AHRKEAP1NR3C1PGR
SCHEMBL31370047 0.74 KEAP1 (0.49) HTR2AHTR2CBACE1AHRADORA2A
SCHEMBL8590547 0.73 MC5R (0.53)

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 32 patents — showing the first 20. 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-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
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-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 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-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 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-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
WO-2003076442-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-18 WO disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1250334-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044235-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 HTR2A 4207/4885HTR2C 4329/4885BACE1 4773/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 HTR2A 2846/4885HTR2C 2553/4885BACE1 3313/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 HTR2A 2846/4885HTR2C 2553/4885BACE1 3313/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 HTR2A 4336/4885HTR2C 4346/4885BACE1 4709/4885

“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.