Sugi Predict

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SCHEMBL4167692

SCHEMBL4167692

COc1cc(CNc2ncccc2-c2nnc(-c3cccc(OC)c3)[nH]2)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 12/20 0.50
▸ CYP1A2 P05177 10/20 0.50
▸ CYP3A4 P08684 10/20 0.50
▸ CYP2D6 P10635 10/20 0.50
▸ CYP2C19 P33261 10/20 0.50
▸ HSD17B10 Q99714 6/20 0.50
▸ ALOX15 P16050 4/20 0.50
▸ TSHR P16473 8/20 0.47
▸ MAPK1 P28482 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 4/20 0.47
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 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
SCHEMBL4182606 0.91 CYP1A2 (0.52) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4172627 0.89 CYP1A2 (0.66) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4168506 0.87 CLK4 (0.46) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4180867 0.84 CYP3A4 (0.57) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4174282 0.84 CLK4 (0.57) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4173387 0.84 HSD17B10 (0.49) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4166190 0.84 TUBB4A (0.55) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4170851 0.84 ABCB1 (0.52) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4174819 0.79 ALDH1A1 (0.49) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4179290 0.79 CYP1A2 (0.44) CLK4CYP1A2CYP3A4CYP2D6CYP2C19

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 CLK4 4055/4885CYP1A2 1124/4885CYP3A4 852/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL CLK4 4055/4885CYP1A2 1124/4885CYP3A4 852/4885

“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.