SCHEMBL3155295

SCHEMBL3155295

COc1cc(CNc2ncccc2C(=O)Nc2ccc(C(C)(C)C)c(OC[C@@H]3CCCN3C(=O)O)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.42
KDR P35968 16/20 0.41
CIT O14578 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41
PDGFRB P09619 1/20 0.41
FGR P09769 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL6423623 0.93 ABCB1 (0.41) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL3159580 0.84 KDR (0.44) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL447814 0.84 KDR (0.49) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL6423628 0.82 KDR (0.42) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL6104937 0.81 PDPK1 (0.44) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL447457 0.78 KDR (0.54) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL447083 0.78 KDR (0.50) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL445284 0.78 KDR (0.49) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL448567 0.78 KDR (0.49) ABCB1KDRCITMAP3K7RIPK2
SCHEMBL3147344 0.78 KDR (0.47) ABCB1KDRCITMAP3K7RIPK2

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-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 ABCB1 237/4885KDR 15/4885CIT 2898/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ABCB1 237/4885KDR 15/4885CIT 2898/4885

“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.