SCHEMBL23080274

SCHEMBL23080274

CO[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H](O)n1cnc2c(-c3cccc(C(F)(F)F)c3)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ ATG7 O95352 1/20 0.34
▸ DNPH1 O43598 4/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CDK5R1 Q15078 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
SCHEMBL23080266 0.83 KDM5B (0.33) DNPH1
SCHEMBL23080286 0.79 ADORA2A (0.36) CDK1
SCHEMBL23080248 0.76 — —
SCHEMBL23080278 0.75 ABL1 (0.39) CA2CA9
SCHEMBL20008382 0.75 ADORA2A (0.32) ATG7CDK1
SCHEMBL20711200 0.72 TRPM2 (0.38) —
SCHEMBL23080263 0.72 ATG7 (0.32) ATG7
SCHEMBL23080242 0.72 CCNB2 (0.48) CDK2MAPK1MAPK8CSNK1A1CSNK1D
SCHEMBL1797066 0.71 DNPH1 (0.60) ATG7DNPH1
SCHEMBL23080204 0.71 P2RX7 (0.41) DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — 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 (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-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 CDK2 37/4885MAPK1 1181/4885MAPK8 2473/4885

“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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