SCHEMBL20337733

SCHEMBL20337733

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.44
PRKCQ Q04759 2/20 0.40
PRKCD Q05655 2/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
CRACR2A Q9BSW2 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
ROCK2 O75116 1/20 0.38
NFKB1 P19838 2/20 0.37
JUN P05412 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
XPO1 O14980 1/20 0.37
PDE10A Q9Y233 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ATF1 P18846 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 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
SCHEMBL20337682 0.84 CRACR2A (0.47) IRAK4CRACR2AKCNQ3KCNQ2ROCK2
SCHEMBL20337700 0.83 PDE10A (0.41) IRAK4CRACR2AKCNQ3KCNQ2ROCK2
SCHEMBL20337778 0.82 PRKCQ (0.44) WDR5PRKCQPRKCDIRAK4PDE10A
SCHEMBL20337782 0.82 IRAK4 (0.42) IRAK4KCNQ3KCNQ2ROCK2PDE10A
SCHEMBL20337737 0.82 IRAK4 (0.42) IRAK4CRACR2AKCNQ3KCNQ2ROCK2
SCHEMBL20337797 0.81 ALDH1A1 (0.39) WDR5PRKCQPRKCDIRAK4CRACR2A
SCHEMBL20337718 0.81 GPR6 (0.49) PRKCQPRKCDIRAK4KCNQ3KCNQ2
SCHEMBL20337710 0.81 IRAK4 (0.41) IRAK4CRACR2AKCNQ3KCNQ2ROCK2
SCHEMBL20337642 0.81 ATF1 (0.40) WDR5PRKCQPRKCDIRAK4NFKB1
SCHEMBL20337625 0.81 WDR5 (0.42) WDR5CRACR2ANFKB1JUNNFKB2

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
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 WDR5 4566/4885PRKCQ 2892/4885PRKCD 3418/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH WDR5 4566/4885PRKCQ 2892/4885PRKCD 3418/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH WDR5 4566/4885PRKCQ 2892/4885PRKCD 3418/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH WDR5 4566/4885PRKCQ 2892/4885PRKCD 3418/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH WDR5 4566/4885PRKCQ 2892/4885PRKCD 3418/4885

“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.