Sugi Predict

Sugi Predict / Compounds / SCHEMBL4173239

SCHEMBL4173239

SCHEMBL4173239

FC(F)(F)c1cccc(-c2nnc(-c3cccnc3NCc3ccc4c(c3)OCO4)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.52
▸ HPGD P15428 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ TUBB4A P04350 6/20 0.48
▸ TUBB P07437 6/20 0.48
▸ TUBA3C P0DPH7 6/20 0.48
▸ TUBA1B P68363 6/20 0.48
▸ TUBA4A P68366 6/20 0.48
▸ TUBB4B P68371 6/20 0.48
▸ TUBB3 Q13509 6/20 0.48
▸ TUBB2A Q13885 6/20 0.48
▸ TUBB8 Q3ZCM7 6/20 0.48
▸ TUBA3E Q6PEY2 6/20 0.48
▸ TUBA1A Q71U36 6/20 0.48

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
SCHEMBL4179115 0.91 KDR (0.55) KDRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4174800 0.88 KDR (0.51) KDRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4181158 0.86 USP1 (0.49) KDRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4174091 0.85 TUBB4A (0.59) KDRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4174282 0.84 CLK4 (0.57) KDRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4523015 0.83 KDR (0.72) KDRHPGDKDM4EALDH1A1GAA
SCHEMBL4177551 0.83 TUBB4A (0.61) KDRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4173812 0.82 TUBB4A (0.52) KDRHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4188204 0.81 KDR (0.44) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4181569 0.81 KDR (0.54) KDRHPGDCYP1A2CYP3A4CYP2D6

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 KDR 3284/4885HPGD 95/4885CYP1A2 1124/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885HPGD 95/4885CYP1A2 1124/4885

“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.