SCHEMBL4036874

SCHEMBL4036874

O=C1C=C(c2cnc3cc(Cl)ccn23)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
KDR P35968 8/20 0.43
FGFR3 P22607 5/20 0.43
FLT3 P36888 5/20 0.41
HPGD P15428 1/20 0.36
PARP1 P09874 1/20 0.34
AURKA O14965 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
NEK2 P51955 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
IGF1R P08069 1/20 0.31

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 0.80 PRMT5 (0.42) PRMT5WDR77FLT3RET
SCHEMBL2263881 0.79 FLT3 (0.47) PRMT5WDR77FLT3
Hydrochloric Acid SCHEMBL4032782 0.78 FLT3 (0.46) PRMT5WDR77FLT3
SCHEMBL2261411 0.76 PRMT5 (0.40) PRMT5WDR77KDRPARP1
SCHEMBL3832037 0.71 CYP1A2 (0.43) PRMT5WDR77FLT3HPGDPARP1
SCHEMBL10174894 0.69 KDR (0.71) PRMT5WDR77KDRFGFR3FLT3
SCHEMBL16964942 0.68 KDR (0.64) PRMT5WDR77KDRFGFR3FLT3
SCHEMBL3031962 0.68 KDR (0.51) PRMT5WDR77KDRFGFR3FLT3
SCHEMBL23104850 0.68 MAP4K1 (0.46) PRMT5WDR77
SCHEMBL2261834 0.68 CDK8 (0.50) KDRCSF1R

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 1243/4885KDR 1488/4885

“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.