SCHEMBL22552003

SCHEMBL22552003

O=C(O)NCc1ncccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA2A P29274 2/20 0.39
MEN1 O00255 1/20 0.39
NAMPT P43490 1/20 0.39
NSD2 O96028 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL4117489 0.85 CYP1A2 (0.47) KMT2ACYP1A2CYP2C9CYP2D6TSHR
SCHEMBL15173994 0.79 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL27245185 0.79 ALDH1A1 (0.53) KMT2AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL20268123 0.79 ADORA2A (0.38) KMT2AALDH1A1LMNAGAAHPGD
SCHEMBL29907709 0.78 NAMPT (0.47) L3MBTL1CYP1A2KDM4ENAMPT
SCHEMBL21730231 0.78 NAMPT (0.47) L3MBTL1CYP1A2KDM4ENAMPT
SCHEMBL3078742 0.78 ADORA2A (0.39) KMT2AALDH1A1GAACYP1A2CYP2C9
SCHEMBL23671683 0.76 CASP1 (0.43) KMT2AL3MBTL1ALDH1A1SLC40A1KDM4E
SCHEMBL4105385 0.76 GRM5 (0.53) KMT2AL3MBTL1ALDH1A1CYP1A2CYP2C9
SCHEMBL30525557 0.76 CASP1 (0.43) KMT2AL3MBTL1ALDH1A1SLC40A1KDM4E

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-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-10898481-B2 Pyrazine compounds and uses thereof DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2021-01-26 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 (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-10898481-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 KMT2A 3330/4885L3MBTL1 4678/4885ALDH1A1 1105/4885
US-20230135068-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 KMT2A 3330/4885L3MBTL1 4678/4885ALDH1A1 1105/4885
US-11571420-B2 Pyrazine compounds and uses thereof ADORA2A, ADORA2B, ADORA1 KMT2A 3330/4885L3MBTL1 4678/4885ALDH1A1 1105/4885
US-20200330458-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 KMT2A 3330/4885L3MBTL1 4678/4885ALDH1A1 1105/4885
US-20210251989-A1 PYRAZINE COMPOUNDS AND USES THEREOF ADORA2A, ADORA2B, ADORA1 KMT2A 3330/4885L3MBTL1 4678/4885ALDH1A1 1105/4885

“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.