SCHEMBL23305035

SCHEMBL23305035

COC(=O)c1cc(Br)cc2[nH]cc(C#N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.47
GAA P10253 1/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CREBBP Q92793 1/20 0.38
CHEK1 O14757 1/20 0.38
LMNA P02545 1/20 0.37
CD38 P28907 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL23304704 0.83 PRKAB2 (0.39) KDM4ECHEK1PRKAB2PRKAG1PRKAA2
SCHEMBL20111796 0.80 NR4A2 (0.51) NR4A2GAAKDM4EMAPTCREBBP
SCHEMBL9936530 0.78 NR4A2 (0.56) NR4A2GAAKDM4EMAPTRXFP1
SCHEMBL24330121 0.77 NR4A2 (0.48) NR4A2KDM4EMAPTCREBBPCHEK1
SCHEMBL23329885 0.74 CD38 (0.68) CD38
SCHEMBL18512320 0.74 GAA (0.46) NR4A2GAAKDM4EMAPTRXFP1
SCHEMBL25447573 0.73 DYRK1A (0.42) NR4A2GAAKDM4EMAPTRXFP1
SCHEMBL17065792 0.73 NR4A2 (0.44) NR4A2KDM4EMAPTCREBBPCHEK1
SCHEMBL18512321 0.73 GAA (0.48) NR4A2GAAKDM4EMAPTRXFP1
SCHEMBL14345057 0.73 GAA (0.44) NR4A2GAAKDM4EMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025807-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-01-26 US disclosed
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 WO disclosed
WO-2021087087-A1 N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS MITOBRIDGE INC. (US) 2021-05-06 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 (1 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-20230025807-A1 CD38 INHIBITORS CD38, GLS, IDH2 NR4A2 2017/4885GAA 433/4885KDM4E 939/4885

“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.