SCHEMBL3832037

SCHEMBL3832037

Cc1ccc2ncc(C3=CC(=O)NC3=O)n2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 1/20 0.35
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.33
FLT3 P36888 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4041609 0.83 PRMT5 (0.42) PRMT5WDR77POLBFLT3
SCHEMBL2263881 0.77 FLT3 (0.47) PRMT5WDR77GSK3BFLT3NPSR1
Hydrochloric Acid SCHEMBL4032782 0.76 FLT3 (0.46) PRMT5WDR77GSK3BFLT3NPSR1
SCHEMBL2261411 0.71 PRMT5 (0.40) PRMT5WDR77GSK3BPARP1
SCHEMBL4036874 0.71 PRMT5 (0.44) PRMT5WDR77HPGDPARP1FLT3
SCHEMBL2265404 0.68 MKNK1 (0.50) PRMT5WDR77GSK3B
SCHEMBL32688112 0.67 KDM4E (0.56) CYP1A2CYP2C9PRMT5WDR77KDM4E
SCHEMBL12998305 0.67 CHEK1 (0.54) CYP1A2CYP2C9PRMT5WDR77KDM4E
SCHEMBL10238918 0.66 CYP1A2 (0.56) CYP1A2CYP2C9PRMT5WDR77KDM4E
SCHEMBL17055676 0.66 FLT3 (0.58) CYP1A2CYP2C9PRMT5WDR77ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 US 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 (2 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 CYP1A2 2083/4885CYP2C9 2549/4885PRMT5 809/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 CYP1A2 2083/4885CYP2C9 2549/4885PRMT5 809/4885

“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.