Sugi Predict

Sugi Predict / Compounds / SCHEMBL4181708

SCHEMBL4181708

SCHEMBL4181708

FC(F)(F)c1ccc(-c2nnc(-c3cccnc3NCc3cccnc3)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.50
▸ CYP1A2 P05177 10/20 0.50
▸ CYP2C19 P33261 9/20 0.50
▸ CYP2D6 P10635 8/20 0.50
▸ KDR P35968 3/20 0.50
▸ PLK1 P53350 1/20 0.48
▸ VNN1 O95497 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX15 P16050 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NPY5R Q15761 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4180996 0.82 JAK2 (0.52) CYP3A4CYP1A2CYP2C19CYP2D6KDR
SCHEMBL4523015 0.80 KDR (0.72) KDRVNN1ALDH1A1HPGD
SCHEMBL4179115 0.80 KDR (0.55) CYP3A4CYP1A2CYP2C19CYP2D6KDR
SCHEMBL4175497 0.79 CYP1A2 (0.53) CYP3A4CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL4180867 0.78 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL4172627 0.77 CYP1A2 (0.66) CYP3A4CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL4185715 0.76 CYP1A2 (0.49) CYP3A4CYP1A2CYP2C19CYP2D6KDR
SCHEMBL8045488 0.73 HIF1A (0.79) VNN1HIF1A
SCHEMBL4179128 0.72 JAK2 (0.52) CYP3A4CYP1A2CYP2C19CYP2D6KDR
SCHEMBL4181710 0.72 NPY5R (0.44) CYP3A4CYP2C19CYP2C9NPY5R

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 CYP3A4 852/4885CYP1A2 1124/4885CYP2C19 1657/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL CYP3A4 852/4885CYP1A2 1124/4885CYP2C19 1657/4885

“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.