SCHEMBL22729587

SCHEMBL22729587

Cc1cn(C)c(=O)n2c(I)cnc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL22729727 0.76 ALDH1A1 (0.32) HPGD
SCHEMBL22729512 0.72 KDM4E (0.39) HSD17B10HPGD
SCHEMBL14072035 0.72 ADORA2B (0.33) —
SCHEMBL22729540 0.70 ATP4A (0.42) HPGD
SCHEMBL22729660 0.69 CCNE1 (0.55) CCNE1CDK2
SCHEMBL22754949 0.62 — —
SCHEMBL21000383 0.61 BRD4 (0.41) —
SCHEMBL22627261 0.61 GABRA1 (0.38) CCNE1CDK2
SCHEMBL19781523 0.60 L3MBTL1 (0.46) HSD17B10
SCHEMBL25730232 0.58 NOS3 (0.32) —

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 3808/4885HSD17B10 1790/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CCNE1 4237/4885CDK2 3739/4885HSD17B10 1691/4885

“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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