SCHEMBL4041609

SCHEMBL4041609

O=C1C=C(c2cnc3ccc(Cl)cn23)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
EIF2AK4 Q9P2K8 5/20 0.42
FLT3 P36888 13/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
NRAS P01111 3/20 0.40
POLB P06746 1/20 0.40
IRAK1 P51617 3/20 0.39
LCK P06239 2/20 0.39
RET P07949 2/20 0.39
PDGFRB P09619 2/20 0.39
CDK7 P50613 2/20 0.39
BLK P51451 2/20 0.39
CCNH P51946 2/20 0.39
SRPK1 Q96SB4 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
SCHEMBL3832037 0.83 CYP1A2 (0.43) PRMT5WDR77FLT3POLB
SCHEMBL4036874 0.80 PRMT5 (0.44) PRMT5WDR77FLT3RET
SCHEMBL2263881 0.77 FLT3 (0.47) PRMT5WDR77FLT3IRAK4
Hydrochloric Acid SCHEMBL4032782 0.76 FLT3 (0.46) PRMT5WDR77FLT3IRAK4
SCHEMBL2261411 0.71 PRMT5 (0.40) PRMT5WDR77
Formaldehyde SCHEMBL28021001 0.68 CHEK1 (0.48) PRMT5WDR77FLT3IRAK4NRAS
SCHEMBL2265404 0.68 MKNK1 (0.50) PRMT5WDR77
SCHEMBL28041698 0.66 POLB (0.54) PRMT5WDR77EIF2AK4FLT3IRAK4
SCHEMBL4034194 0.66 PRMT5 (0.43) PRMT5WDR77
SCHEMBL2261834 0.66 CDK8 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PRMT5 809/4885WDR77 1243/4885EIF2AK4 356/4885

“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.