SCHEMBL4177417

SCHEMBL4177417

c1ccc(-c2nnc(-c3ccccc3NCc3ccncc3)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.59
KDR P35968 9/20 0.45
FLT1 P17948 8/20 0.45
KDM4C Q9H3R0 2/20 0.43
KDM5B Q9UGL1 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
MAOA P21397 1/20 0.42
ADRA1D P25100 1/20 0.42
MAOB P27338 1/20 0.42
ADRA1A P35348 1/20 0.42
RET P07949 1/20 0.42
PDE4B Q07343 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SYK P43405 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41

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
SCHEMBL4171251 0.87 ADRA2C (0.48) ADRA2CKDRFLT1SYK
SCHEMBL13605666 0.85 PTGS2 (0.48) ADRA2CKDRFLT1
SCHEMBL4171121 0.83 ABCB1 (0.48) ADRA2CKDRFLT1
SCHEMBL4172549 0.76 ABCB1 (0.46) ADRA2CKDRFLT1KDM4CKDM4E
SCHEMBL4177569 0.74 METAP2 (0.45) ADRA2CKDRFLT1KDM4E
SCHEMBL4169747 0.73 ABCB1 (0.58) ADRA2CKDRFLT1
SCHEMBL4185715 0.72 CYP1A2 (0.49) ADRA2CKDRFLT1KDM4E
SCHEMBL13950020 0.72 KDM4E (0.35) ADRA2CKDM4CKDM5BKDM4E
SCHEMBL4173263 0.72 KDR (0.40) ADRA2CKDRFLT1KDM4CKDM4E
SCHEMBL4184395 0.71 ABCB1 (0.51) ADRA2CKDRFLT1KCNH3

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 ADRA2C 3817/4885KDR 3284/4885FLT1 3408/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL ADRA2C 3817/4885KDR 3284/4885FLT1 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.