SCHEMBL3150889

SCHEMBL3150889

CNc1nccc(CNc2ncccc2C(=O)Nc2cc(OC[C@@H]3CCCO3)cc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
GRM5 P41594 2/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
KIT P10721 1/20 0.41
BRAF P15056 1/20 0.41
GRM4 Q14833 2/20 0.41
TSHR P16473 1/20 0.40
TEK Q02763 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL3149959 1.00 KDR (0.47) KDRALDH1A1KDM4EGAANPC1
SCHEMBL3141753 0.87 KDR (0.53) KDRALDH1A1KDM4EGAANPC1
SCHEMBL3154438 0.87 KDR (0.53) KDRALDH1A1KDM4EGAANPC1
SCHEMBL3155284 0.86 KDR (0.47) KDRALDH1A1KITBRAFTEK
SCHEMBL13417761 0.86 KDR (0.47) KDRALDH1A1KITBRAFTEK
SCHEMBL3154554 0.86 KDR (0.47) KDRALDH1A1KITBRAFTEK
SCHEMBL3159778 0.85 KDR (0.45) KDRALDH1A1KITBRAFTEK
SCHEMBL6226101 0.85 KDR (0.45) KDRALDH1A1KITBRAFTEK
SCHEMBL3155785 0.84 KDR (0.53) KDRALDH1A1KDM4EGAANPC1
SCHEMBL3141787 0.84 KDR (0.53) KDRALDH1A1KDM4EGAANPC1

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-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 15/4885ALDH1A1 389/4885KDM4E 922/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885ALDH1A1 389/4885KDM4E 922/4885

“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.