Sugi Predict

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SCHEMBL4168403

SCHEMBL4168403

COc1cccc(-c2nnc(-c3ccccc3NCc3ccc4[nH]ncc4c3)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.47
▸ KDR P35968 4/20 0.47
▸ FLT1 P17948 2/20 0.42
▸ ROCK1 Q13464 10/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ PDE4B Q07343 1/20 0.39

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
SCHEMBL4166211 0.93 KDR (0.43) ROCK2KDRFLT1ADORA2AADORA1
SCHEMBL4188190 0.86 KDR (0.50) ROCK2KDRFLT1ROCK1GSK3B
SCHEMBL4170851 0.82 ABCB1 (0.52) CLK4
SCHEMBL4173085 0.82 KDR (0.50) ROCK2KDRFLT1ROCK1GSK3B
SCHEMBL4173786 0.82 CLK4 (0.40) KDRCLK4PDE4B
SCHEMBL4174943 0.79 CLK4 (0.53) CLK4NPC1RAB9A
SCHEMBL4188197 0.75 MEN1 (0.47) ROCK2KDRFLT1ROCK1CLK4
SCHEMBL4181588 0.74 KDR (0.46) KDRFLT1CLK4
SCHEMBL4180624 0.74 ABCB1 (0.44) NPC1RAB9AADORA2AADORA1
SCHEMBL25290117 0.73 ROCK2 (0.61) ROCK2KDRROCK1GSK3BGSK3A

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 ROCK2 3163/4885KDR 3284/4885FLT1 3408/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL ROCK2 3163/4885KDR 3284/4885FLT1 3408/4885

“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.