SCHEMBL4185580

SCHEMBL4185580

COc1cc(CNc2cc(N3CCN(C)CC3)ccc2-c2nnc(NC3=COC=C(C4=CC=CCC4)O3)o2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.36
JAK2 O60674 5/20 0.34
PTK2 Q05397 4/20 0.34
HTR2A P28223 1/20 0.33
FGFR2 P21802 3/20 0.32
SIRT6 Q8N6T7 1/20 0.32
CCNK O75909 1/20 0.30
CCND3 P30281 1/20 0.30
CDK9 P50750 1/20 0.30
CDK6 Q00534 1/20 0.30
AURKA O14965 1/20 0.30
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL4169675 0.80 HTR6 (0.36) HTR6SIRT6FLT3
SCHEMBL4532308 0.75 KDR (0.40) KDR
SCHEMBL4181018 0.75 FLT1 (0.36) KDR
SCHEMBL4181111 0.75 KDR (0.32) KDR
SCHEMBL4163532 0.74 KDR (0.50) KDR
SCHEMBL4185559 0.74 TUBB4A (0.54) KDR
SCHEMBL4182033 0.74 KDR (0.37) KDR
SCHEMBL4178980 0.73 TUBB4A (0.35) KDR
SCHEMBL4184448 0.73 KDR (0.40) KDR
SCHEMBL4173709 0.73 TUBB4A (0.37) KDR

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 HTR6 3432/4885JAK2 1318/4885PTK2 3731/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL HTR6 3432/4885JAK2 1318/4885PTK2 3731/4885

“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.