SCHEMBL20985370

SCHEMBL20985370

Nc1nc2cc(F)ccc2n1[C@H]1CC[C@@H](C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CPT1A P50416 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SPR P35270 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ TBXA2R P21731 2/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ UBE2N P61088 1/20 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
SCHEMBL20985369 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1HTTCYP11B1CYP11B2
SCHEMBL1923774 0.84 CYP11B2 (0.49) SMN1; SMN2MAPK1HTTCYP11B1CYP11B2
SCHEMBL1923775 0.84 CYP11B2 (0.49) SMN1; SMN2MAPK1HTTCYP11B1CYP11B2
SCHEMBL1924796 0.83 ALDH1A1 (0.47) SMN1; SMN2MAPK1HTTCYP11B1CYP11B2
SCHEMBL1924797 0.83 ALDH1A1 (0.47) SMN1; SMN2MAPK1HTTCYP11B1CYP11B2
SCHEMBL20985390 0.83 PRKACA (0.49) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL20985392 0.83 PRKACA (0.49) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL20985345 0.78 SPR (0.55) LMNASPRIRAK4
SCHEMBL20985344 0.78 SPR (0.55) LMNASPRIRAK4
SCHEMBL13319064 0.76 SMN1; SMN2 (0.55) SMN1; SMN2MAPK1HTTL3MBTL1KDM4E

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 SMN1; SMN2 1794/4885MAPK1 710/4885HTT 902/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 SMN1; SMN2 1811/4885MAPK1 772/4885HTT 868/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 SMN1; SMN2 1794/4885MAPK1 710/4885HTT 902/4885

“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.

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