SCHEMBL3151422

SCHEMBL3151422

COc1nccc(CNc2ncccc2C(=O)Nc2ccc(C(C)(C)C)c(NC(=O)CN(C)C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 1/20 0.43
▸ KDR P35968 14/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KIT P10721 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ CIT O14578 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ STK10 O94804 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CSF1R P07333 1/20 0.37

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
SCHEMBL3155139 0.89 KIT (0.48) BDKRB1KDRKITBRAFCIT
SCHEMBL13453400 0.88 BDKRB1 (0.42) BDKRB1KDRMEN1MAPTKMT2A
SCHEMBL3156156 0.86 KDR (0.46) BDKRB1KDRKITBRAFCIT
SCHEMBL3145678 0.86 KDR (0.47) BDKRB1KDRMEN1MAPTKMT2A
SCHEMBL6103207 0.82 PDPK1 (0.52) BDKRB1KDRMEN1MAPTKMT2A
SCHEMBL3156201 0.82 KDR (0.42) BDKRB1KDRKITPDPK1RAF1
SCHEMBL3150762 0.82 BDKRB1 (0.45) BDKRB1KDRKITBRAFPDPK1
SCHEMBL4975286 0.80 PDPK1 (0.40) BDKRB1KDRKITBRAFPDPK1
SCHEMBL4967228 0.79 CCNA2 (0.40) BDKRB1
SCHEMBL4554773 0.75 KDR (0.57) KDRKITPDPK1MAP4K4EGFR

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 10 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-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO 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 BDKRB1 14/4885KDR 15/4885MEN1 846/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC BDKRB1 14/4885KDR 15/4885MEN1 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.

Send feedback