SCHEMBL4185175

SCHEMBL4185175

C1=CCCC(C2=COC=C(Nc3nnc(-c4ccccc4NCc4ccncc4)[nH]3)O2)=C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.36
ADRA2C P18825 2/20 0.34
FLT1 P17948 6/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4177106 0.84 KDR (0.44) KDRFLT1
SCHEMBL4163532 0.83 KDR (0.50) KDRADRA2CFLT1HTTSMN1; SMN2
SCHEMBL4167671 0.81 CYP1A2 (0.35) KDRSMN1; SMN2
SCHEMBL4163399 0.81
SCHEMBL4178059 0.78 GUSB (0.32)
SCHEMBL4181012 0.74 CDC7 (0.41) KDRADRA2CSMN1; SMN2NPSR1
SCHEMBL4184448 0.74 KDR (0.40) KDR
SCHEMBL4174903 0.73
SCHEMBL4182033 0.73 KDR (0.37) KDR
SCHEMBL4186168 0.73 TUBB4A (0.37) KDRADRA2CHTTSMN1; SMN2

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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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 (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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL KDR 3284/4885ADRA2C 3817/4885FLT1 3408/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885ADRA2C 3817/4885FLT1 3408/4885

“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.