SCHEMBL20337642

SCHEMBL20337642

O=C(Nc1cc(Cl)cnc1NC1CC1)c1cncnc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATF1 P18846 6/20 0.40
NFKB1 P19838 6/20 0.40
IRAK4 Q9NWZ3 6/20 0.39
WDR5 P61964 1/20 0.38
IRAK1 P51617 2/20 0.37
CRHR1 P34998 2/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
XPO1 O14980 3/20 0.36
JUN P05412 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MCHR1 Q99705 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 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
SCHEMBL20345757 0.84 ABL1 (0.42) IRAK4IRAK1CRHR1MCHR1
SCHEMBL20337645 0.82 XPO1 (0.39) ATF1NFKB1IRAK4WDR5ITGB1
SCHEMBL20337733 0.81 WDR5 (0.44) ATF1NFKB1IRAK4WDR5ITGB1
SCHEMBL20337778 0.75 PRKCQ (0.44) IRAK4WDR5PRKCQPRKCD
SCHEMBL20337797 0.74 ALDH1A1 (0.39) IRAK4WDR5PRKCQPRKCD
SCHEMBL20337771 0.69 IRAK4 (0.44) IRAK4IRAK1
SCHEMBL27934296 0.67 PDE4B (0.45) IRAK4WDR5
SCHEMBL20337788 0.67 IRAK4 (0.43) IRAK4IRAK1
SCHEMBL20337741 0.67 ITGB1 (0.41) ATF1NFKB1WDR5ITGB1ITGA4
SCHEMBL20337714 0.67 LMNA (0.46) IRAK4IRAK1

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 ATF1 2624/4885NFKB1 2043/4885IRAK4 4090/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH ATF1 2624/4885NFKB1 2043/4885IRAK4 4090/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH ATF1 2624/4885NFKB1 2043/4885IRAK4 4090/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH ATF1 2624/4885NFKB1 2043/4885IRAK4 4090/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH ATF1 2624/4885NFKB1 2043/4885IRAK4 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.