SCHEMBL20818306

SCHEMBL20818306

C[C@@H]1CN(C(=O)O)CCN1c1cnn(C2CCCCO2)c(=O)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 5/20 0.37
▸ GRM1 Q13255 1/20 0.35
▸ ATR Q13535 3/20 0.34
▸ GPR119 Q8TDV5 4/20 0.33
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ SMO Q99835 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL20832054 0.88 GPR119 (0.44) ATRGPR119ALDH1A1LMNA
SCHEMBL20818165 0.86 RXRA (0.34) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL20817846 0.80 CYP4F2 (0.37) ATRCYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL20817847 0.80 CYP4F2 (0.37) ATRCYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL20817776 0.74 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20832056 0.74 SMARCA2 (0.41) ATRGPR119LMNA
SCHEMBL20831547 0.74 ATR (0.34) IDH1ATRCYP4F2CYP4A11
SCHEMBL20818575 0.73 TRPC5 (0.34) ATRCYP4F2CYP4A11CHRM4KCNH2
SCHEMBL23489835 0.73 CYP4F2 (0.36) ATRCYP4F2CYP4A11RXRARXRB
SCHEMBL20831759 0.72 ATR (0.33) IDH1ATRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 — — US disclosed
EP-3684364-A2 PYRIDAZINONES AND METHODS OF USE THEREOF Goldfinch Bio, Inc. (US) 2020-07-29 — — EP disclosed
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 — — 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN IDH1 1443/4885GRM1 2269/4885ATR 3541/4885

“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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