SCHEMBL3144783

SCHEMBL3144783

Cc1nnc(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccncn3)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.52
ABCB1 P08183 1/20 0.45
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RET P07949 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3145965 0.86 KDR (0.45) KDRABCB1MEN1MAPTKMT2A
SCHEMBL429884 0.85 KDR (0.61) KDRABCB1MEN1MAPTKMT2A
SCHEMBL6105482 0.84 KDR (0.57) KDRABCB1MEN1MAPTKMT2A
SCHEMBL3142954 0.82 KDR (0.52) KDRABCB1MEN1MAPTKMT2A
SCHEMBL3149979 0.82 KDR (0.52) KDRABCB1MEN1MAPTKMT2A
SCHEMBL430412 0.79 KDR (0.65) KDRABCB1MEN1MAPTKMT2A
SCHEMBL3146339 0.78 KDR (0.49) KDRABCB1RETMAP3K20RIPK3
SCHEMBL426597 0.78 KDR (0.74) KDRABCB1
SCHEMBL3159226 0.77 ABCB1 (0.57) KDRABCB1RETMAP3K20RIPK3
SCHEMBL3154931 0.77 KDR (0.52) KDRABCB1RETMAP3K20RIPK3

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 8 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-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-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 15/4885ABCB1 237/4885MEN1 846/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885ABCB1 237/4885MEN1 846/4885

“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.