SCHEMBL4173256

SCHEMBL4173256

c1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)[nH]2)c(NCc2ccncc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.66
GAA P10253 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
PABPC1 P11940 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TUBB4A P04350 5/20 0.52
TUBB P07437 5/20 0.52
TUBA3C P0DPH7 5/20 0.52
TUBA1B P68363 5/20 0.52
TUBA4A P68366 5/20 0.52
TUBB4B P68371 5/20 0.52
TUBB3 Q13509 5/20 0.52
TUBB2A Q13885 5/20 0.52
TUBB8 Q3ZCM7 5/20 0.52
TUBA3E Q6PEY2 5/20 0.52
TUBA1A Q71U36 5/20 0.52
TUBA1C Q9BQE3 5/20 0.52

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
SCHEMBL4185165 0.94 KDR (0.70) KDRGAAALDH1A1KDM4EMAPT
SCHEMBL4170609 0.87 TUBB4A (0.67) KDRGAAALDH1A1KDM4EMAPT
SCHEMBL4178548 0.86 ALDH1A1 (0.50) KDRGAAALDH1A1KDM4EMAPT
SCHEMBL4174883 0.82 KDR (0.69) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4181410 0.82 KDR (0.47) KDRMAPTTUBB4ATUBBTUBA3C
SCHEMBL4173389 0.80 KDR (1.00) KDRGAAALDH1A1KDM4EMAPT
SCHEMBL4173372 0.79 TUBB4A (0.63) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4177569 0.78 METAP2 (0.45) KDRKDM4EMAPTNPSR1MEN1
SCHEMBL4181716 0.78 TUBB4A (0.68) KDRGAAALDH1A1KDM4EMAPT
SCHEMBL4184395 0.78 ABCB1 (0.51) KDRGAAMAPTTUBB4ATUBB

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 6 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

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 3284/4885GAA 203/4885ALDH1A1 535/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885GAA 203/4885ALDH1A1 535/4885

“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.