SCHEMBL22579103

SCHEMBL22579103

COC(=O)c1nc(Cl)c(-c2ccc(C)o2)nc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.45
▸ ADORA1 P30542 5/20 0.45
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ PKM P14618 5/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PLIN1 O60240 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PLIN5 Q00G26 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ ABHD5 Q8WTS1 1/20 0.42
▸ FBP1 P09467 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL22551849 0.80 ADORA2A (0.66) ADORA2AADORA1KDM4EALDH1A1PKM
SCHEMBL22579112 0.76 ADORA2A (0.49) ADORA2AADORA1KDM4EALDH1A1PKM
SCHEMBL544545 0.76 CTSA (0.42) ADORA2AKDM4EALDH1A1PKMLMNA
SCHEMBL22552100 0.75 KDM4E (0.40) ADORA2AADORA1KDM4EALDH1A1PKM
SCHEMBL5425548 0.75 SMN1; SMN2 (0.52) KDM4EALDH1A1PKMHPGDPTGS1
SCHEMBL29907684 0.73 LMNA (0.51) ADORA2AADORA1KDM4EALDH1A1PKM
SCHEMBL21730350 0.73 LMNA (0.51) ADORA2AADORA1KDM4EALDH1A1PKM
SCHEMBL507599 0.73 NPSR1 (0.54) ADORA2AKDM4EALDH1A1PKMLMNA
SCHEMBL29987712 0.73 NPSR1 (0.54) ADORA2AKDM4EALDH1A1PKMLMNA
SCHEMBL22579094 0.72 KDM4E (0.38) ADORA2AADORA1KDM4EALDH1A1PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 — — US disclosed
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2023-05-04 — — US disclosed
US-11571420-B2 Pyrazine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-07 — — US disclosed
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-08-19 — — US disclosed
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2020-10-22 — — 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 (4 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-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 4220/4885

“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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