SCHEMBL20337737

SCHEMBL20337737

CCc1ncncc1C(=O)Nc1cc(F)c(F)cc1NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.42
PDE10A Q9Y233 3/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
ROCK2 O75116 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MCHR1 Q99705 1/20 0.37
MAP4K1 Q92918 1/20 0.36
CRACR2A Q9BSW2 1/20 0.36

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
SCHEMBL20337658 0.89 MRGPRX1 (0.41) IRAK4PDE10A
SCHEMBL20337682 0.86 CRACR2A (0.47) IRAK4PDE10AKCNQ3KCNQ2ROCK2
SCHEMBL20337714 0.85 LMNA (0.46) IRAK4
SCHEMBL20337692 0.84 S1PR1 (0.38) IRAK4PDE10AKCNQ3KCNQ2MCHR1
SCHEMBL20337718 0.83 GPR6 (0.49) IRAK4PDE10AKCNQ3KCNQ2ROCK2
SCHEMBL20337710 0.83 IRAK4 (0.41) IRAK4PDE10AKCNQ3KCNQ2ROCK2
SCHEMBL20337700 0.83 PDE10A (0.41) IRAK4PDE10AKCNQ3KCNQ2ROCK2
SCHEMBL20337768 0.82 IRAK4 (0.44) IRAK4PDE10A
SCHEMBL20337733 0.82 WDR5 (0.44) IRAK4PDE10AKCNQ3KCNQ2ROCK2
SCHEMBL20337782 0.82 IRAK4 (0.42) IRAK4PDE10AKCNQ3KCNQ2ROCK2

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 4090/4885PDE10A 4261/4885KCNQ3 3581/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH IRAK4 4090/4885PDE10A 4261/4885KCNQ3 3581/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH IRAK4 4090/4885PDE10A 4261/4885KCNQ3 3581/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH IRAK4 4090/4885PDE10A 4261/4885KCNQ3 3581/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH IRAK4 4090/4885PDE10A 4261/4885KCNQ3 3581/4885

“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.