SCHEMBL20985361

SCHEMBL20985361

Nc1cc(F)ccc1N[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.47
CHEK1 O14757 1/20 0.45
NTRK1 P04629 1/20 0.45
MET P08581 1/20 0.45
PIM1 P11309 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
MAP2K2 P36507 1/20 0.45
CDK8 P49336 1/20 0.45
NEK2 P51955 1/20 0.45
LIMK1 P53667 1/20 0.45
TYRO3 Q06418 1/20 0.45
MAP4K2 Q12851 1/20 0.45
DYRK1A Q13627 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALOX15 P16050 2/20 0.42
HTT P42858 1/20 0.40
DGAT1 O75907 1/20 0.39
HDAC3 O15379 7/20 0.39
HDAC2 Q92769 5/20 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
SCHEMBL20985359 1.00 HDAC1 (0.47) HDAC1CHEK1NTRK1METPIM1
SCHEMBL31196402 0.88 HDAC1 (0.49) HDAC1CHEK1NTRK1METPIM1
SCHEMBL460338 0.86 GAA (0.46) HDAC1CHEK1NTRK1METPIM1
SCHEMBL13500619 0.82 HSP90AA1 (0.43) HDAC1CHEK1NTRK1METPIM1
SCHEMBL1924881 0.81 ALOX15 (0.55) CHEK1NTRK1METPIM1LTK
SCHEMBL1924879 0.81 ALOX15 (0.55) CHEK1NTRK1METPIM1LTK
SCHEMBL20985280 0.79 HCAR3 (0.64) GAAHCAR3RAB9A
SCHEMBL20985278 0.79 HCAR3 (0.64) GAAHCAR3RAB9A
SCHEMBL28691310 0.77 CHEK1 (0.41) HDAC1CHEK1NTRK1METPIM1
SCHEMBL31196362 0.76 HDAC1 (0.44) HDAC1CHEK1NTRK1METPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
EP-3710443-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES Arvinas Operations, Inc. (US) 2020-09-23 EP disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 HDAC1 1669/4885CHEK1 674/4885NTRK1 101/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HDAC1 1613/4885CHEK1 501/4885NTRK1 144/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HDAC1 1669/4885CHEK1 674/4885NTRK1 101/4885

“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.