SCHEMBL20142586

SCHEMBL20142586

Nc1ccc(CN2CCN(CCCNC(=O)O)CC2)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.61
GAA P10253 2/20 0.45
KIT P10721 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
ATM Q13315 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRAF P15056 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FAAH O00519 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL18295978 0.86 NR1H2 (0.57) NR1H2KITFAAHACHESRC
SCHEMBL20142109 0.83 MAPT (0.52) GAAKITKDM4EALDH1A1SMN1; SMN2
SCHEMBL22987187 0.80 NR1H2 (0.61) NR1H2GAAKITKDM4EALDH1A1
SCHEMBL2708121 0.80 NR1H2 (0.67) NR1H2GAAKITKDM4EALDH1A1
SCHEMBL17134920 0.80 NR1H2 (0.75) NR1H2GAAKITKDM4EALDH1A1
SCHEMBL20214542 0.78 NR1H2 (0.58) NR1H2GAAKITKDM4EALDH1A1
SCHEMBL24192760 0.78 NR1H2 (0.77) NR1H2GAAKITKDM4EALDH1A1
SCHEMBL29959027 0.78 NR1H2 (0.77) NR1H2GAAKITKDM4EALDH1A1
SCHEMBL24192421 0.78 NR1H2 (0.77) NR1H2GAAKITKDM4EALDH1A1
SCHEMBL4678727 0.78 EPHX2 (0.48) NR1H2GAA

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-10925868-B2 Degradation of protein kinases by conjugation of protein kinase inhibitors with E3 ligase ligand and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-23 US disclosed
WO-2018089736-A1 DEGRADATION OF PROTEIN KINASES BY CONJUGATION OF PROTEIN KINASE INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 WO 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 (1 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-10925868-B2 Degradation of protein kinases by conjugation of protein kinase inhibitors with E3 ligase ligand and methods of use MDM2, DSTYK, MAP2K2 NR1H2 2864/4885GAA 1692/4885KIT 926/4885

“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.