SCHEMBL4178017

SCHEMBL4178017

CN(C)c1ccc(Nc2nnc(-c3cccnc3N(CC3=COCO3)Cc3ccccc3)[nH]2)cc1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
APP P05067 2/20 0.32
MAPT P10636 2/20 0.32
SNCA P37840 2/20 0.32
INSR P06213 1/20 0.31
CSF1R P07333 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL4179206 0.90 KDM4E (0.35) ALDH1A1LMNAGAAMAPTCSF1R
SCHEMBL4181614 0.87 APP (0.31) APPMAPTSNCA
SCHEMBL4176947 0.86 TUBB4A (0.35) INSRCSF1RPDGFRBPDGFRAKDR
SCHEMBL4173348 0.84 MEN1 (0.36) ALDH1A1NPSR1MAPTCSF1RKDR
SCHEMBL4180570 0.81 KDM4E (0.38) ALDH1A1LMNAGAAMAPTCSF1R
SCHEMBL4175509 0.80 ALDH1A1 (0.44) ALDH1A1LMNAGAANPSR1MAPT
SCHEMBL4173778 0.76 KDM4E (0.36) ALDH1A1GAANPSR1MAPTCSF1R
SCHEMBL4173252 0.75 PTGS2 (0.37) AGTR1AGTR2
SCHEMBL4174808 0.75 HPGDS (0.31) AGTR1AGTR2
SCHEMBL4179120 0.75 SCN2A (0.33) AGTR1AGTR2

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 ALDH1A1 535/4885LMNA 501/4885GAA 203/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL ALDH1A1 535/4885LMNA 501/4885GAA 203/4885

“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.