Sugi Predict

Sugi Predict / Compounds / SCHEMBL4188216

SCHEMBL4188216

SCHEMBL4188216

Nc1cc(C(F)(F)F)ccc1-c1nnc(Nc2ccc3c(c2)OCO3)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.48
▸ ULK1 O75385 6/20 0.43
▸ MAP2K4 P45985 1/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL13605665 0.83 FYN (0.47) FYNULK1FLT3CHEK1CLK1
SCHEMBL4178548 0.80 ALDH1A1 (0.50) FYNDYRK1ACLK4RAB9AHSD17B10
SCHEMBL4181693 0.77 FYN (0.41) FYNULK1NPC1RAB9AMEN1
SCHEMBL4174192 0.77 ALDH1A1 (0.53) FYNCLK1CLK2DYRK1ACLK4
SCHEMBL4163392 0.76 KMT2A (0.53) FYNNPC1ALOX15RAB9AHSD17B10
SCHEMBL14868822 0.74 FYN (0.64) FYNULK1CLK1CLK2DYRK1A
SCHEMBL4166105 0.73 PTGS1 (0.40) NPC1RAB9AHSD17B10MEN1KMT2A
SCHEMBL4181586 0.72 TUBB4A (0.55) FYNCLK1NPC1ALOX15RAB9A
SCHEMBL14868826 0.69 FYN (0.67) FYNCLK1CLK2DYRK1ACLK4
SCHEMBL4173366 0.68 FYN (0.45) FYNCLK1NPC1ALOX15RAB9A

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 6 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

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 FYN 2776/4885ULK1 433/4885MAP2K4 4492/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL FYN 2776/4885ULK1 433/4885MAP2K4 4492/4885

“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.