SCHEMBL21986700

SCHEMBL21986700

COC(=O)c1c(C)ccc2nn(C3CCCCO3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ ALDH1A1 P00352 10/20 0.34
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 7/20 0.33
▸ KDM4E B2RXH2 7/20 0.33
▸ GAA P10253 6/20 0.33
▸ GLA P06280 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL21986808 0.89 SLC6A3 (0.39) ATRABL1ALDH1A1MAPTMEN1
SCHEMBL21986791 0.88 ALDH1A1 (0.36) ATRALDH1A1MAPTMEN1KMT2A
SCHEMBL21986911 0.78 CYP4F2 (0.38) ATRABL1CYP4F2CYP4A11ALDH1A1
SCHEMBL21986732 0.78 CYP4F2 (0.38) ATRCYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL21986817 0.77 CYP4F2 (0.35) ATRABL1CYP4F2CYP4A11ALDH1A1
SCHEMBL21986801 0.74 CYP4F2 (0.33) ATRABL1CYP4F2CYP4A11MEN1
SCHEMBL21986862 0.74 CYP4F2 (0.33) ATRABL1CYP4F2CYP4A11MEN1
SCHEMBL21986849 0.72 FGFR1 (0.34) ATRALDH1A1MAPTMEN1KMT2A
SCHEMBL21986745 0.70 ATR (0.33) ATRALDH1A1MAPTNPSR1HPGD
SCHEMBL1564296 0.69 ATR (0.36) ATRCYP4F2CYP4A11ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — 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 (4 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ATR 3544/4885ABL1 4717/4885CYP4F2 4162/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ATR 3544/4885ABL1 4717/4885CYP4F2 4162/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ATR 3544/4885ABL1 4717/4885CYP4F2 4162/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ATR 3544/4885ABL1 4717/4885CYP4F2 4162/4885

“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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