SCHEMBL21208792

SCHEMBL21208792

CC(=O)N1CCN(c2cncc(-c3cnc4ccc(C(F)F)nn34)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.46
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ WNT3A P56704 1/20 0.40
▸ ACVR1 Q04771 2/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ CYP17A1 P05093 4/20 0.39
▸ CYP21A2 P08686 4/20 0.39
▸ CYP11B1 P15538 4/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ SIK1 P57059 1/20 0.38
▸ SIK2 Q9H0K1 1/20 0.38
▸ SIK3 Q9Y2K2 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ EIF4E P06730 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL30027855 1.00 PIK3CD (0.46) PIK3CDEIF2AK4WNT3AACVR1TGFBR1
SCHEMBL21192956 0.88 PIK3CD (0.47) PIK3CDEIF2AK4ACVR1FYN
SCHEMBL21209398 0.82 EIF2AK4 (0.51) PIK3CDEIF2AK4WNT3AACVR1FYN
SCHEMBL21210758 0.82 EIF2AK4 (0.46) EIF2AK4WNT3AACVR1SIK1SIK2
SCHEMBL30027579 0.79 EIF2AK4 (0.48) PIK3CDEIF2AK4WNT3AACVR1
SCHEMBL21210900 0.79 EIF2AK4 (0.48) PIK3CDEIF2AK4WNT3AACVR1
SCHEMBL30027028 0.78 EIF2AK4 (0.46) EIF2AK4EIF4EMKNK1MKNK2ABCG2
SCHEMBL21209406 0.78 EIF2AK4 (0.46) EIF2AK4EIF4EMKNK1MKNK2ABCG2
SCHEMBL21193371 0.76 EIF2AK4 (0.60) EIF2AK4TGFBR1EIF4EMKNK1MKNK2
SCHEMBL30803914 0.76 EIF2AK4 (0.60) EIF2AK4TGFBR1EIF4EMKNK1MKNK2

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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 — — US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 — — US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — WO disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — 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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR PIK3CD 2323/4885EIF2AK4 1/4885WNT3A 3187/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 PIK3CD 1141/4885EIF2AK4 1/4885WNT3A 3219/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR PIK3CD 2323/4885EIF2AK4 1/4885WNT3A 3187/4885

“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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