SCHEMBL6103207

SCHEMBL6103207

CN(C)CC(=O)Nc1cc(NC(=O)c2cccnc2NCc2ccc(F)cc2)ccc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.52
▸ KDR P35968 15/20 0.50
▸ BDKRB1 P46663 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CIT O14578 1/20 0.44
▸ MAP3K7 O43318 1/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ STK10 O94804 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CSF1R P07333 1/20 0.44

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
SCHEMBL3150762 0.88 BDKRB1 (0.45) PDPK1KDRBDKRB1CITMAP3K7
SCHEMBL3145678 0.85 KDR (0.47) KDRBDKRB1MEN1MAPTKMT2A
SCHEMBL4967228 0.85 CCNA2 (0.40) BDKRB1
SCHEMBL3156156 0.84 KDR (0.46) KDRBDKRB1CITMAP3K7RIPK2
SCHEMBL3156201 0.83 KDR (0.42) PDPK1KDRBDKRB1RAF1LCK
SCHEMBL3151422 0.82 BDKRB1 (0.43) PDPK1KDRBDKRB1MEN1MAPT
SCHEMBL3155139 0.82 KIT (0.48) KDRBDKRB1CITMAP3K7RIPK2
SCHEMBL18070995 0.81 KDR (0.62) PDPK1KDRKDM4EMEN1MAPT
SCHEMBL4975286 0.81 PDPK1 (0.40) PDPK1KDRBDKRB1CITMAP3K7
SCHEMBL6104460 0.79 KDR (0.69) PDPK1KDRKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US claimed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 — — EP claimed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 — — US claimed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 — — WO claimed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 — — US claimed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 — — EP disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 — — US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 — — US disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 — — WO 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 (3 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 PDPK1 2760/4885KDR 18/4885BDKRB1 47/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PDPK1 2760/4885KDR 18/4885BDKRB1 47/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR PDPK1 2760/4885KDR 18/4885BDKRB1 47/4885

“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.

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