SCHEMBL20155054

SCHEMBL20155054

O=C1CCNC(=O)C2=C1CCCCCCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.42
RAF1 P04049 1/20 0.39
MAPK1 P28482 1/20 0.39
CRBN Q96SW2 3/20 0.38
FKBP5 Q13451 1/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
MPI P34949 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL19359650 1.00 MAP2K1 (0.42) MAP2K1RAF1MAPK1CRBNFKBP5
SCHEMBL11103726 0.74 CRBN (0.39) MAP2K1CRBNFKBP5MEN1KMT2A
SCHEMBL116223 0.72
SCHEMBL30253370 0.71 CRBN (0.41) MAP2K1CRBNFKBP5MEN1KMT2A
SCHEMBL16485712 0.70 CRBN (0.39) MAP2K1CRBNFKBP5HSD17B10PDPK1
Methane SCHEMBL10972248 0.69
Charcoal, Activated SCHEMBL30614618 0.69
SCHEMBL502060 0.69 ALDH1A1 (0.42) CRBNFKBP5MEN1KMT2AALDH1A1
SCHEMBL2762093 0.69 ALDH1A1 (0.42) CRBNFKBP5MEN1KMT2AALDH1A1
SCHEMBL4376729 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 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 (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-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB MAP2K1 557/4885RAF1 1271/4885MAPK1 538/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB MAP2K1 557/4885RAF1 1271/4885MAPK1 538/4885

“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.