SCHEMBL20337782

SCHEMBL20337782

O=C(Nc1cc(F)c(F)cc1NC1CC1)c1cncnc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 14/20 0.42
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
ROCK2 O75116 1/20 0.38
PDE10A Q9Y233 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GPR6 P46095 1/20 0.35

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
SCHEMBL20337710 0.90 IRAK4 (0.41) IRAK4KCNQ3KCNQ2ROCK2PDE10A
SCHEMBL20337715 0.88 GPR6 (0.39) IRAK4KCNQ3KCNQ2PDE10AGPR6
SCHEMBL20337771 0.85 IRAK4 (0.44) IRAK4
SCHEMBL20337682 0.84 CRACR2A (0.47) IRAK4KCNQ3KCNQ2ROCK2PDE10A
SCHEMBL20337700 0.83 PDE10A (0.41) IRAK4KCNQ3KCNQ2ROCK2PDE10A
SCHEMBL20337780 0.82 GPR6 (0.45) IRAK4PDE10ACYP11B1CYP11B2GPR6
SCHEMBL20337733 0.82 WDR5 (0.44) IRAK4KCNQ3KCNQ2ROCK2PDE10A
SCHEMBL20337737 0.82 IRAK4 (0.42) IRAK4KCNQ3KCNQ2ROCK2PDE10A
SCHEMBL20337718 0.81 GPR6 (0.49) IRAK4KCNQ3KCNQ2ROCK2PDE10A
SCHEMBL20337734 0.78 PDE10A (0.39) IRAK4PDE10AGPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562306-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2025-02-26 EP disclosed
US-11919883-B2 Metalloenzyme inhibitor compounds JI XING PHARMACEUTICALS HONG KONG LIMITED (HK) 2024-03-05 US disclosed
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2022-01-13 US disclosed
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2022-01-13 US disclosed
US-11136309-B2 Metalloenzyme inhibitor compounds PHASEBIO PHARMACEUTICALS, INC. (US) 2021-10-05 US disclosed
US-11136309-B2 Metalloenzyme inhibitor compounds PHASEBIO PHARMACEUTICALS, INC. (US) 2021-10-05 US disclosed
US-20200392112-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2020-12-17 US disclosed
US-20200392112-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2020-12-17 US disclosed
EP-3562306-A2 METALLOENZYME INHIBITOR COMPOUNDS Selenity Therapeutics (Bermuda), Ltd. (BM) 2019-11-06 EP disclosed
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 US disclosed
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 US disclosed
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 US disclosed
WO-2018125799-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) 2018-07-05 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 (5 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-20200392112-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH IRAK4 4090/4885KCNQ3 3581/4885KCNQ2 3140/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH IRAK4 4090/4885KCNQ3 3581/4885KCNQ2 3140/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH IRAK4 4090/4885KCNQ3 3581/4885KCNQ2 3140/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH IRAK4 4090/4885KCNQ3 3581/4885KCNQ2 3140/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH IRAK4 4090/4885KCNQ3 3581/4885KCNQ2 3140/4885

“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.