SCHEMBL20337727

SCHEMBL20337727

c1nc2c(n1C1CC1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.40
▸ CPB2 Q96IY4 1/20 0.39
▸ ADORA2A P29274 4/20 0.36
▸ PI4KA P42356 3/20 0.34
▸ PI4K2B Q8TCG2 3/20 0.34
▸ PI4K2A Q9BTU6 3/20 0.34
▸ PI4KB Q9UBF8 3/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ YTHDC1 Q96MU7 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ HCAR1 Q9BXC0 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32

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
SCHEMBL23852251 0.72 CPB2 (0.39) CPB2ADORA2API4KAPI4K2BPI4K2A
SCHEMBL23852419 0.72 HCAR1 (0.37) CPB2ADORA2API4KAPI4K2BPI4K2A
SCHEMBL21698770 0.72 CYP11B2 (0.70) CYP11B2
SCHEMBL20817750 0.71 CPB2 (0.41) CPB2ADORA2API4KAPI4K2BPI4K2A
SCHEMBL21698646 0.69 CYP11B2 (0.67) CYP11B2HCAR1
SCHEMBL21698786 0.69 CYP11B2 (0.67) CYP11B2HCAR1
SCHEMBL2402912 0.68 DRD4 (0.41) PDE2APDE3BPDE3AALDH1A1PDE1A
SCHEMBL13415333 0.67 DRD4 (0.40) PDE2APDE3BPDE3AALDH1A1PDE1A
SCHEMBL22604338 0.67 DRD4 (0.40) PDE2APDE3BPDE3AALDH1A1PDE1A
SCHEMBL25234139 0.67 CPB2 (0.48) CPB2ADORA2API4KAPI4K2BPI4K2A

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 CYP11B2 405/4885CPB2 248/4885ADORA2A 4697/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH CYP11B2 405/4885CPB2 248/4885ADORA2A 4697/4885
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH CYP11B2 405/4885CPB2 248/4885ADORA2A 4697/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH CYP11B2 405/4885CPB2 248/4885ADORA2A 4697/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH CYP11B2 405/4885CPB2 248/4885ADORA2A 4697/4885

“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.

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