SCHEMBL20337645

SCHEMBL20337645

O=C(Nc1ccc(Cl)nc1NC1CC1)c1cncnc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ATF1 P18846 6/20 0.38
NFKB1 P19838 6/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
PDE10A Q9Y233 1/20 0.37
S1PR1 P21453 1/20 0.36
WDR5 P61964 1/20 0.36
JUN P05412 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ULK1 O75385 2/20 0.36
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 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
SCHEMBL20337671 0.84 ABL1 (0.42) IRAK4PDE10AS1PR1AXLFLT3
SCHEMBL20337657 0.84 IRAK4 (0.39) IRAK4PDE10AS1PR1FLT3TYRO3
SCHEMBL20337642 0.82 ATF1 (0.40) XPO1ITGB1ITGA4ATF1NFKB1
SCHEMBL20337741 0.82 ITGB1 (0.41) XPO1ITGB1ITGA4ATF1NFKB1
SCHEMBL20337733 0.78 WDR5 (0.44) XPO1ITGB1ITGA4ATF1NFKB1
SCHEMBL20337778 0.76 PRKCQ (0.44) IRAK4PDE10AWDR5
SCHEMBL20337797 0.75 ALDH1A1 (0.39) IRAK4WDR5
SCHEMBL20338303 0.74 CYP11B1 (0.39)
SCHEMBL20338377 0.68 ACKR3 (0.38) IRAK4S1PR1FLT3TYRO3MERTK
SCHEMBL20338241 0.67 CYP11B1 (0.37)

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 XPO1 1718/4885ITGB1 3867/4885ITGA4 4153/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH XPO1 1718/4885ITGB1 3867/4885ITGA4 4153/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH XPO1 1718/4885ITGB1 3867/4885ITGA4 4153/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH XPO1 1718/4885ITGB1 3867/4885ITGA4 4153/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH XPO1 1718/4885ITGB1 3867/4885ITGA4 4153/4885

“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.