SCHEMBL22729660

SCHEMBL22729660

Cc1c[nH]c(=O)n2c(I)cnc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 3/20 0.55
▸ CDK2 P24941 3/20 0.55
▸ MAPK8 P45983 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ DYRK1B Q9Y463 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ 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
SCHEMBL22729587 0.69 CCNE1 (0.33) CCNE1CDK2
SCHEMBL22729737 0.64 CCNE1 (0.55) CCNE1CDK2
SCHEMBL24712473 0.59 SLC9A1 (0.40) —
SCHEMBL12617161 0.58 KDM5A (0.40) LMNA
SCHEMBL10639131 0.58 KDM5A (0.33) —
SCHEMBL221825 0.57 SLC9A1 (0.41) MEN1LMNAKMT2A
SCHEMBL15031427 0.55 SLC9A1 (0.40) —
SCHEMBL22107468 0.55 SLC9A1 (0.40) —
SCHEMBL15663365 0.55 SLC9A1 (0.40) —
SCHEMBL7141528 0.55 SLC9A1 (0.40) —

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC CCNE1 4278/4885CDK2 3808/4885MAPK8 1197/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CCNE1 4237/4885CDK2 3739/4885MAPK8 1227/4885

“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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