SCHEMBL4175620

SCHEMBL4175620

C1=CCCC(N(C2=COC=CO2)c2nnc(-c3cccnc3NCC3COCCO3)[nH]2)=C1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40

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
SCHEMBL4181387 0.86 KDR (0.36) KDR
SCHEMBL4181638 0.76 TUBB4A (0.44)
SCHEMBL4185686 0.73 KDR (0.43) KDR
SCHEMBL4175531 0.67 TUBB4A (0.42)
SCHEMBL4169670 0.66 TUBB4A (0.44) KDR
SCHEMBL4172655 0.65 TUBB4A (0.42) KDR
SCHEMBL4174127 0.65 KDR (0.74) KDR
SCHEMBL4175614 0.63 TUBB4A (0.55) KDR
SCHEMBL4164005 0.63 KDR (0.33) KDR
SCHEMBL4185683 0.63 TUBB4A (0.56) 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 2 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

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 3284/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885

“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.