SCHEMBL20337682

SCHEMBL20337682

Cc1ncncc1C(=O)Nc1cc(F)c(F)cc1NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 2/20 0.47
ACKR3 P25106 1/20 0.42
IRAK4 Q9NWZ3 6/20 0.41
ABL1 P00519 2/20 0.40
DHODH Q02127 1/20 0.40
PDE10A Q9Y233 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
ROCK2 O75116 1/20 0.39
GPR6 P46095 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL20337787 0.87 CRACR2A (0.47) CRACR2AACKR3ABL1PDE10AGPR6
SCHEMBL20337737 0.86 IRAK4 (0.42) CRACR2AIRAK4PDE10AKCNQ3KCNQ2
SCHEMBL20337718 0.85 GPR6 (0.49) IRAK4PDE10AKCNQ3KCNQ2ROCK2
SCHEMBL20337710 0.85 IRAK4 (0.41) CRACR2AIRAK4DHODHPDE10AKCNQ3
SCHEMBL20337700 0.85 PDE10A (0.41) CRACR2AIRAK4PDE10AKCNQ3KCNQ2
SCHEMBL20337733 0.84 WDR5 (0.44) CRACR2AIRAK4PDE10AKCNQ3KCNQ2
SCHEMBL20337782 0.84 IRAK4 (0.42) IRAK4PDE10AKCNQ3KCNQ2ROCK2
SCHEMBL20337765 0.84 ABL1 (0.43) CRACR2AACKR3IRAK4ABL1PDE10A
SCHEMBL20345765 0.82 CRACR2A (0.46) CRACR2AACKR3IRAK4ABL1NPC1
SCHEMBL20345759 0.81 CRACR2A (0.42) CRACR2AACKR3IRAK4ABL1PDE10A

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
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 CRACR2A 3141/4885ACKR3 4826/4885IRAK4 4090/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH CRACR2A 3141/4885ACKR3 4826/4885IRAK4 4090/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH CRACR2A 3141/4885ACKR3 4826/4885IRAK4 4090/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH CRACR2A 3141/4885ACKR3 4826/4885IRAK4 4090/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH CRACR2A 3141/4885ACKR3 4826/4885IRAK4 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.