Sugi Predict

Sugi Predict / Compounds / SCHEMBL4554734

SCHEMBL4554734

SCHEMBL4554734

CC(C)(C)OC(=O)N1CCCC1COC(c1ccc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.52
▸ TRPV1 Q8NER1 6/20 0.40
▸ PTGES O14684 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ MET P08581 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13867895 0.88 KDR (0.51) KDRTRPV1PTGESNPC1HPGD
SCHEMBL3901456 0.85 KDR (0.51) KDRTRPV1PTGESNPC1HPGD
SCHEMBL13867926 0.85 KDR (0.51) KDRTRPV1PTGESNPC1HPGD
SCHEMBL4554735 0.85 KDR (0.51) KDRTRPV1PTGESNPC1HPGD
SCHEMBL5873426 0.82 KDR (0.51) KDRTRPV1PTGESNPC1HPGD
SCHEMBL5421682 0.82 TRPV1 (0.41) TRPV1PTGESNPC1MEN1MAPT
SCHEMBL4554905 0.82 KDR (0.56) KDRTRPV1NPC1HPGDRAB9A
SCHEMBL3149806 0.81 KDR (0.57) KDR
SCHEMBL13417753 0.81 KDR (0.57) KDR
SCHEMBL13867881 0.80 KDR (0.57) KDRTRPV1NPC1HPGDRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4392348-B2 — — 2009-12-24 — — JP claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US claimed
JP-2006502118-A — — 2006-01-19 — — JP claimed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 — — EP claimed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 — — WO claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 — — US claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 — — 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 (1 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-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885TRPV1 3811/4885PTGES 414/4885

“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.