SCHEMBL6105482

SCHEMBL6105482

Cc1nnc(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccc(F)cc3)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.57
PDPK1 O15530 2/20 0.56
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.47
ABCB1 P08183 1/20 0.46
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3149979 0.86 KDR (0.52) KDRPDPK1KDM4EMAPTMEN1
SCHEMBL3142954 0.86 KDR (0.52) KDRKDM4EMAPTMEN1KMT2A
SCHEMBL6104460 0.84 KDR (0.69) KDRPDPK1KDM4EMAPTGAA
SCHEMBL3144783 0.84 KDR (0.52) KDRKDM4EMAPTGAAMEN1
SCHEMBL3146339 0.83 KDR (0.49) KDRABCB1
SCHEMBL3145965 0.82 KDR (0.45) KDRKDM4EMAPTGAAMEN1
SCHEMBL18048949 0.81 KDR (0.84) KDRPDPK1KDM4EMAPTGAA
SCHEMBL15528705 0.78 MEN1 (0.79) KDRPDPK1KDM4EMAPTGAA
SCHEMBL31362715 0.77 KDR (0.79) KDRPDPK1KDM4EMAPTGAA
SCHEMBL6224138 0.76 KDR (0.51) KDRPDPK1KDM4EMAPTMEN1

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 9 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
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US 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 KDR 18/4885PDPK1 2760/4885KDM4E 1056/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885PDPK1 2760/4885KDM4E 1056/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDR 18/4885PDPK1 2760/4885KDM4E 1056/4885

“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.