SCHEMBL20985373

SCHEMBL20985373

O=C(O)C1CCC(Nc2ccc(CN3CCCCC3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.56
MAPT P10636 5/20 0.56
PKM P14618 2/20 0.56
RAB9A P51151 2/20 0.56
HCAR3 P49019 3/20 0.53
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.51
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL20985374 1.00 MAPK1 (0.56) MAPK1MAPTPKMRAB9AHCAR3
SCHEMBL2033579 0.88 MAPK1 (0.60) MAPK1MAPTPKMRAB9AHCAR3
SCHEMBL21025998 0.86 ALDH1A1 (0.49) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL29313717 0.86 ALDH1A1 (0.49) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL20985378 0.83 HRH3 (0.46) ALDH1A1
SCHEMBL20985376 0.83 HRH3 (0.46) ALDH1A1
SCHEMBL571937 0.79 MAPK1 (0.48) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL10270824 0.79 MAPK1 (0.48) MAPK1MAPTPKMRAB9ANPSR1
SCHEMBL572532 0.79 MAPK1 (0.50) MAPK1MAPTPKMRAB9AHCAR3
SCHEMBL15192627 0.79 MAPK1 (0.50) MAPK1MAPTPKMRAB9AHCAR3

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 MAPK1 710/4885MAPT 1386/4885PKM 1690/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MAPK1 772/4885MAPT 1544/4885PKM 2115/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 MAPK1 710/4885MAPT 1386/4885PKM 1690/4885

“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.