SCHEMBL24453719

SCHEMBL24453719

Cc1ccnc(N2CCOC[C@H]2C)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ ATR Q13535 19/20 0.51
▸ ATRIP Q8WXE1 16/20 0.49
▸ CHEK1 O14757 8/20 0.49
▸ PDCD1 Q15116 8/20 0.49
▸ CD274 Q9NZQ7 8/20 0.49
▸ MTOR P42345 1/20 0.46
▸ PDE4D Q08499 1/20 0.45

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
SCHEMBL30516408 0.85 PIK3CD (0.52) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL30629341 0.79 PIK3CD (0.58) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL2127456 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL28539899 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL29442179 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL28539901 0.79 ATR (0.55) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL30386045 0.78 PIK3C3 (0.46) PIK3CDPIK3CAATRATRIPMTOR
SCHEMBL30386169 0.78 PIK3C3 (0.46) PIK3CDPIK3CAATRATRIPMTOR
SCHEMBL11983520 0.77 CCR1 (0.46) —
SCHEMBL29261326 0.77 PIK3CA (0.51) PIK3CDPIK3CAATRATRIPCHEK1

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-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 — — 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-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 PIK3CD 4249/4885PIK3CA 4128/4885ATR 4876/4885

“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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