SCHEMBL20337734

SCHEMBL20337734

CC(C)c1ncncc1C(=O)Nc1ccc(F)cc1NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.39
GPR6 P46095 2/20 0.38
IRAK4 Q9NWZ3 5/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
TSPO P30536 2/20 0.37
MRGPRX1 Q96LB2 2/20 0.37
LMNA P02545 2/20 0.37
ESR1 P03372 1/20 0.37
PAK1 Q13153 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
MAPK3 P27361 1/20 0.35
MAPK1 P28482 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
SCHEMBL20337715 0.91 GPR6 (0.39) PDE10AGPR6IRAK4TSPOMRGPRX1
SCHEMBL20337710 0.88 IRAK4 (0.41) PDE10AIRAK4
SCHEMBL20337788 0.88 IRAK4 (0.43) IRAK4LMNANPC1RAB9A
SCHEMBL20337787 0.86 CRACR2A (0.47) PDE10AGPR6TSPOMRGPRX1LMNA
SCHEMBL20337706 0.85 IRAK4 (0.44) PDE10AGPR6IRAK4
SCHEMBL20337658 0.83 MRGPRX1 (0.41) PDE10AGPR6IRAK4TSPOMRGPRX1
SCHEMBL20337786 0.83 GPR6 (0.53) GPR6
SCHEMBL20337738 0.82 ALDH1A1 (0.42) PDE10AGPR6IRAK4TSPOMRGPRX1
SCHEMBL20337771 0.79 IRAK4 (0.44) IRAK4POLB
SCHEMBL20337712 0.79 KCNQ3 (0.44) PDE10APAK1NPC1RAB9A

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
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
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 PDE10A 4261/4885GPR6 4575/4885IRAK4 4090/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH PDE10A 4261/4885GPR6 4575/4885IRAK4 4090/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH PDE10A 4261/4885GPR6 4575/4885IRAK4 4090/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH PDE10A 4261/4885GPR6 4575/4885IRAK4 4090/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH PDE10A 4261/4885GPR6 4575/4885IRAK4 4090/4885

“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.