SCHEMBL20985278

SCHEMBL20985278

O=C(O)[C@H]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.64
MAPT P10636 8/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KCNMA1 Q12791 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
WNK1 Q9H4A3 2/20 0.44
MAPK1 P28482 5/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 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
SCHEMBL20985280 1.00 HCAR3 (0.64) HCAR3MAPTNPSR1KCNMA1KMT2A
SCHEMBL931990 0.89 HCAR3 (0.64) HCAR3MAPTNPSR1KCNMA1KMT2A
SCHEMBL20334188 0.84 HCAR3 (0.66) HCAR3MAPTNPSR1KMT2AMEN1
SCHEMBL1925316 0.83 HCAR3 (0.52) HCAR3MAPTKMT2ALMNASMN1; SMN2
SCHEMBL1925313 0.83 HCAR3 (0.52) HCAR3MAPTKMT2ALMNASMN1; SMN2
SCHEMBL9395556 0.82 HCAR3 (0.64) HCAR3MAPTNPSR1KMT2AMEN1
SCHEMBL28497373 0.81 MAPT (0.62) HCAR3MAPTNPSR1KMT2AMEN1
SCHEMBL28497372 0.81 MAPT (0.62) HCAR3MAPTNPSR1KMT2AMEN1
SCHEMBL22716728 0.79 HCAR3 (0.52) HCAR3MAPTNPSR1KCNMA1KMT2A
SCHEMBL31192527 0.79 HCAR3 (0.52) HCAR3MAPTNPSR1KCNMA1KMT2A

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 HCAR3 2265/4885MAPT 1386/4885NPSR1 3960/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HCAR3 2603/4885MAPT 1544/4885NPSR1 3698/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 HCAR3 2265/4885MAPT 1386/4885NPSR1 3960/4885

“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.