Sugi Predict

Sugi Predict / Compounds / SCHEMBL3149972

SCHEMBL3149972

SCHEMBL3149972

COc1cc(CNc2ncccc2C(=O)Nc2cc(OC[C@H]3CCCNC3)cc(C(F)(F)F)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.52
▸ BRAF P15056 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FLT1 P17948 2/20 0.39
▸ CIT O14578 1/20 0.39
▸ MAP3K7 O43318 1/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ STK10 O94804 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL446671 0.92 KDR (0.55) KDRBRAFMEN1ALDH1A1LMNA
SCHEMBL446128 0.89 KDR (0.53) KDRBRAFMEN1ALDH1A1LMNA
SCHEMBL6222505 0.87 KDR (0.54) KDRBRAFMEN1ALDH1A1LMNA
SCHEMBL450385 0.85 KDR (0.55) KDRBRAFMEN1ALDH1A1LMNA
SCHEMBL3155785 0.85 KDR (0.53) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL3141787 0.85 KDR (0.53) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL3155721 0.85 KDR (0.53) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL449202 0.85 KDR (0.53) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL6222513 0.84 KDR (0.54) KDRBRAFMEN1ALDH1A1LMNA
SCHEMBL446374 0.83 KDR (0.50) KDRMEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US claimed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885BRAF 867/4885MEN1 846/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885BRAF 867/4885MEN1 846/4885

“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.