SCHEMBL4172549

SCHEMBL4172549

COc1ccc(CNc2nnc(-c3ccccc3NCc3ccncc3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
ADRA2C P18825 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
FLT1 P17948 3/20 0.42
KDR P35968 3/20 0.42
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE9A O76083 1/20 0.40
NCF1 P14598 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
EGFR P00533 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
SCHEMBL4177569 0.90 METAP2 (0.45) ABCB1ADRA2CMEN1KMT2AHPGD
SCHEMBL4169747 0.89 ABCB1 (0.58) ABCB1ADRA2CFLT1KDRTP53
SCHEMBL4174313 0.85 ALDH1A1 (0.51) ABCB1ADRA2CMEN1KMT2AHPGD
SCHEMBL4184395 0.83 ABCB1 (0.51) ABCB1ADRA2CMEN1KMT2AFLT1
SCHEMBL4171121 0.82 ABCB1 (0.48) ABCB1ADRA2CMEN1KMT2AHPGD
SCHEMBL4177417 0.76 ADRA2C (0.59) ADRA2CFLT1KDRKDM4EKDM4C
SCHEMBL4168476 0.74 TUBB4A (0.52) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL4177679 0.72 METAP2 (0.40) ABCB1MEN1KMT2AHPGDGAA
SCHEMBL28149856 0.72 MEN1 (0.53) ADRA2CMEN1KMT2AHPGDFLT1
SCHEMBL13605666 0.70 PTGS2 (0.48) ADRA2CFLT1KDRSMN1; SMN2ALDH1A1

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 ABCB1 148/4885ADRA2C 3817/4885MEN1 543/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL ABCB1 148/4885ADRA2C 3817/4885MEN1 543/4885

“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.