SCHEMBL4173168

SCHEMBL4173168

COc1cccc(Nc2nnc(-c3cccnc3N(Cc3ccccc3)C3=COCO3)[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
KDR P35968 3/20 0.36
FLT1 P17948 1/20 0.36
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35

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
SCHEMBL4173778 0.91 KDM4E (0.36) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4166085 0.88 KDM4E (0.39) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4173348 0.88 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4178495 0.88 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4176947 0.81 TUBB4A (0.35) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4179206 0.79 KDM4E (0.35) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4169707 0.78 TUBB4A (0.39) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4181133 0.78 TUBB4A (0.44) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4180570 0.76 KDM4E (0.38) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4175509 0.76 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1POLB

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 3 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
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 MEN1 543/4885KMT2A 2240/4885MAPT 3261/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MEN1 543/4885KMT2A 2240/4885MAPT 3261/4885

“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.