SCHEMBL4177569

SCHEMBL4177569

COc1ccc(Nc2nnc(-c3ccccc3NCc3ccncc3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.45
ABCB1 P08183 1/20 0.43
KDR P35968 4/20 0.43
ADRA2C P18825 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NAMPT P43490 2/20 0.40
FLT1 P17948 1/20 0.40
SLC2A1 P11166 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.38
GRK2 P25098 1/20 0.38
JAK2 O60674 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL4172549 0.90 ABCB1 (0.46) ABCB1KDRADRA2CKDM4EFLT1
SCHEMBL4184395 0.89 ABCB1 (0.51) ABCB1KDRADRA2CMAPTNAMPT
SCHEMBL4174313 0.86 ALDH1A1 (0.51) ABCB1KDRADRA2CMAPTKDM4E
SCHEMBL4169747 0.82 ABCB1 (0.58) ABCB1KDRADRA2CFLT1ROCK2
SCHEMBL4171121 0.80 ABCB1 (0.48) ABCB1KDRADRA2CMAPTFLT1
SCHEMBL4185165 0.78 KDR (0.70) KDRMAPTKDM4ENPSR1MEN1
SCHEMBL4173256 0.78 KDR (0.66) KDRMAPTKDM4EFLT1NPSR1
SCHEMBL4177679 0.76 METAP2 (0.40) METAP2ABCB1MAPTMEN1HPGD
SCHEMBL4178015 0.76 CYP3A4 (0.47) MAPTKDM4ENAMPTSLC2A1MEN1
SCHEMBL4170897 0.75 KDR (0.49) KDRMAPTFLT1MEN1HPGD

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 7 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-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
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
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 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 METAP2 4038/4885ABCB1 148/4885KDR 3284/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL METAP2 4038/4885ABCB1 148/4885KDR 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.