SCHEMBL3140280

SCHEMBL3140280

CC1(C)CNC(NC(=O)O)c2cc(NC(=O)c3cccnc3NCc3ccnc(N4CCOCC4)c3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.52
RAF1 P04049 2/20 0.52
BRAF P15056 2/20 0.52
CIT O14578 1/20 0.52
MAP3K7 O43318 1/20 0.52
RIPK2 O43353 1/20 0.52
STK10 O94804 1/20 0.52
MAP4K4 O95819 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
CSF1R P07333 1/20 0.52
YES1 P07947 1/20 0.52
LYN P07948 1/20 0.52
RET P07949 1/20 0.52
HCK P08631 1/20 0.52
PDGFRB P09619 1/20 0.52
FGR P09769 1/20 0.52
KIT P10721 1/20 0.52

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
SCHEMBL3154693 0.94 KDR (0.54) KDRRAF1BRAFCITMAP3K7
SCHEMBL3150436 0.84 KDR (0.56) KDRRAF1BRAFCITMAP3K7
SCHEMBL3145270 0.82 KDR (0.61) KDRRAF1BRAFCITMAP3K7
SCHEMBL6424691 0.79 KDR (0.51) KDRRAF1BRAFCITMAP3K7
SCHEMBL3159423 0.77 KDR (0.58) KDRRAF1BRAFCITMAP3K7
SCHEMBL3141602 0.76 ABCB1 (0.68) KDRRAF1BRAFABCB1AURKA
SCHEMBL3155362 0.76 KDR (0.64) KDRRAF1BRAFCITMAP3K7
SCHEMBL13417771 0.76 ABCB1 (0.49) KDRRAF1BRAFCITMAP3K7
SCHEMBL3151940 0.74 ABCB1 (0.63) KDRABCB1AURKARPS6KB1ALDH1A1
SCHEMBL6226600 0.74 ABCB1 (0.56) KDRRAF1BRAFCITMAP3K7

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-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-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 15/4885RAF1 2384/4885BRAF 867/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885RAF1 2384/4885BRAF 867/4885

“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.