SCHEMBL3156201

SCHEMBL3156201

CN(C)CC(=O)Nc1cc(NC(=O)c2cccnc2NCc2ccnc3ccccc23)ccc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.42
▸ BDKRB1 P46663 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ RET P07949 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ MAP3K20 Q9NYL2 1/20 0.41
▸ RIPK3 Q9Y572 1/20 0.41
▸ FLT1 P17948 2/20 0.40
▸ PDPK1 O15530 4/20 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
SCHEMBL4975286 0.88 PDPK1 (0.40) KDRBDKRB1RAF1LCKRET
SCHEMBL3156216 0.86 WNT3A (0.46) KDRRAF1LCKRETKIT
SCHEMBL3150762 0.84 BDKRB1 (0.45) KDRBDKRB1RAF1LCKRET
SCHEMBL6103207 0.83 PDPK1 (0.52) KDRBDKRB1RAF1LCKRET
SCHEMBL3156156 0.82 KDR (0.46) KDRBDKRB1RAF1LCKRET
SCHEMBL3155139 0.82 KIT (0.48) KDRBDKRB1RAF1LCKRET
SCHEMBL3151422 0.82 BDKRB1 (0.43) KDRBDKRB1RAF1LCKRET
SCHEMBL3145678 0.82 KDR (0.47) KDRBDKRB1RAF1LCKRET
SCHEMBL4967228 0.79 CCNA2 (0.40) BDKRB1
SCHEMBL3141658 0.76 KDR (0.45) KDRRAF1LCKRETKIT

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 19 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
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO 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-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 — — US disclosed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US disclosed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 — — US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 — — US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 — — US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 — — US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 — — US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 — — 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 (7 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885BDKRB1 47/4885RAF1 2458/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885BDKRB1 14/4885RAF1 2384/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885BDKRB1 47/4885RAF1 2458/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885BDKRB1 47/4885RAF1 2458/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885BDKRB1 20/4885RAF1 2068/4885
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB KDR 4/4885BDKRB1 99/4885RAF1 1473/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885BDKRB1 14/4885RAF1 2384/4885

“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