SCHEMBL26297239

SCHEMBL26297239

C[C@@H]1COCCN1c1cc(N2CCN(N)CC2)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
ATR Q13535 14/20 0.40
ATRIP Q8WXE1 9/20 0.39
CHEK1 O14757 3/20 0.39
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
PDE4D Q08499 4/20 0.39
MTOR P42345 1/20 0.39
PDPK1 O15530 2/20 0.38
ROCK1 Q13464 2/20 0.38
AURKB Q96GD4 2/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL26297233 0.90 RAD52 (0.45) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL30516414 0.87 PIK3CD (0.46) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL25209606 0.85 ATR (0.51) ATRATRIPCHEK1PDCD1CD274
SCHEMBL25407865 0.85 ATR (0.51) ATRATRIPCHEK1PDCD1CD274
SCHEMBL26297256 0.80 ATR (0.46) PIK3CAATRATRIPCHEK1PDCD1
SCHEMBL25159980 0.79 ATR (0.49) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL24961968 0.78 MTOR (0.39) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL27233200 0.78 MTOR (0.44) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL24961969 0.78 MTOR (0.44) PIK3CDPIK3CAATRATRIPCHEK1
SCHEMBL26297186 0.77 ATR (0.51) ATRATRIPCHEK1PDCD1CD274

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-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 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-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 PIK3CD 347/4885PIK3CA 317/4885ATR 1/4885

“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.