SCHEMBL20337697

SCHEMBL20337697

CCCc1ncncc1C(=O)Nc1ccc(C#N)cc1NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
IRAK4 Q9NWZ3 10/20 0.43
GPR6 P46095 2/20 0.42
PDE10A Q9Y233 2/20 0.40
TNF P01375 3/20 0.38
PANK3 Q9H999 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
KCNH2 Q12809 1/20 0.36
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
KMT2A Q03164 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
SCHEMBL20337768 0.92 IRAK4 (0.44) MAPK14IRAK4GPR6PDE10ATNF
SCHEMBL20337738 0.85 ALDH1A1 (0.42) MAPK14IRAK4GPR6PDE10A
SCHEMBL20337785 0.85 IRAK4 (0.46) MAPK14IRAK4GPR6PDE10ATNF
SCHEMBL20337650 0.83 IRAK4 (0.47) IRAK4GPR6PDE10ATNFJAK2
SCHEMBL20337706 0.83 IRAK4 (0.44) IRAK4GPR6PDE10ATNFKMT2A
SCHEMBL20337778 0.81 PRKCQ (0.44) IRAK4GPR6PDE10ATNFJAK2
SCHEMBL20337780 0.81 GPR6 (0.45) IRAK4GPR6PDE10A
SCHEMBL20337658 0.77 MRGPRX1 (0.41) IRAK4GPR6PDE10A
SCHEMBL20337714 0.77 LMNA (0.46) IRAK4KMT2A
SCHEMBL20337776 0.75 MAPK14 (0.44) MAPK14IRAK4GPR6PDE10AKMT2A

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 12 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
WO-2018125799-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) 2018-07-05 WO 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

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 MAPK14 2945/4885IRAK4 4090/4885GPR6 4575/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH MAPK14 2945/4885IRAK4 4090/4885GPR6 4575/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH MAPK14 2945/4885IRAK4 4090/4885GPR6 4575/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH MAPK14 2945/4885IRAK4 4090/4885GPR6 4575/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH MAPK14 2945/4885IRAK4 4090/4885GPR6 4575/4885

“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.