Sugi Predict

Sugi Predict / Compounds / SCHEMBL4180867

SCHEMBL4180867

SCHEMBL4180867

COc1cc(OC)cc(-c2nnc(-c3cccnc3NCc3cccnc3)[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.57
▸ CYP1A2 P05177 13/20 0.57
▸ CYP2C19 P33261 13/20 0.57
▸ CYP2D6 P10635 12/20 0.57
▸ HSD17B10 Q99714 8/20 0.57
▸ CLK4 Q9HAZ1 5/20 0.57
▸ ALOX15 P16050 4/20 0.57
▸ MAPK1 P28482 5/20 0.49
▸ TSHR P16473 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 9/20 0.48
▸ CYP2C9 P11712 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL4172627 0.92 CYP1A2 (0.66) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4175497 0.86 CYP1A2 (0.53) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4167692 0.84 CLK4 (0.50) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4182606 0.82 CYP1A2 (0.52) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4178015 0.81 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4186201 0.81 CYP1A2 (0.54) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4173392 0.80 ALDH1A1 (0.49) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4181140 0.80 CYP1A2 (0.50) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4180996 0.79 JAK2 (0.52) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10
SCHEMBL4181708 0.78 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C19CYP2D6HSD17B10

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.