SCHEMBL25746166

SCHEMBL25746166

CC(C)n1cc(-n2cccn2)cc(SC#N)c1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ERCC1 P07992 1/20 0.31
▸ ERCC4 Q92889 1/20 0.31
▸ CCNE1 P24864 3/20 0.31
▸ CDK2 P24941 3/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL25745858 0.78 MAPT (0.39) KDM5BPOLBMAPTKDM4EALDH1A1
SCHEMBL24007323 0.77 KDM4E (0.42) KDM5BPOLBMAPTKDM4EALDH1A1
SCHEMBL24007289 0.77 POLB (0.36) KDM5BPOLBMAPTKDM4EALDH1A1
SCHEMBL24816287 0.74 POLB (0.35) KDM5BPOLBMAPTKDM4EALDH1A1
SCHEMBL24007329 0.74 HCRTR1 (0.38) POLBKDM4EALDH1A1MAPK1
SCHEMBL25746173 0.74 ALDH1A1 (0.33) MAPTKDM4EALDH1A1TDP1KMT2A
SCHEMBL24813442 0.73 POLB (0.33) KDM5BPOLBMAPTKDM4EALDH1A1
SCHEMBL25746167 0.72 ALDH1A1 (0.36) KDM5BPOLBMAPTALDH1A1KMT2A
SCHEMBL25746097 0.68 KDM4E (0.34) KDM4EALDH1A1TDP1
SCHEMBL29316072 0.63 XDH (0.48) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 — — US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 — — 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 (2 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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B KDM5B 454/4885POLB 1228/4885CYP19A1 2941/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B KDM5B 454/4885POLB 1228/4885CYP19A1 2941/4885

“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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