SCHEMBL31730820

SCHEMBL31730820

Cn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3ccc(C4CC5(C4)CN(C(=O)OC(C)(C)C)C5)n3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.38
▸ PIK3CA P42336 10/20 0.36
▸ PIK3R1 P27986 8/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ MTOR P42345 2/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34

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
SCHEMBL25733559 0.90 GPR119 (0.43) PIK3CDPIK3CAGPR119HDAC3HDAC4
SCHEMBL31730879 0.90 GPR119 (0.43) PIK3CDPIK3CAGPR119HDAC3HDAC4
SCHEMBL31730923 0.89 PIK3CD (0.45) PIK3CDPIK3CAPIK3R1GPR119HDAC3
SCHEMBL25733410 0.89 PIK3CD (0.45) PIK3CDPIK3CAPIK3R1GPR119HDAC3
SCHEMBL25229681 0.88 PIK3CD (0.43) PIK3CDPIK3CAPIK3R1GPR119HDAC3
SCHEMBL31730992 0.84 KDM4E (0.35) PIK3CDPIK3CAHDAC3HDAC4HDAC1
SCHEMBL30254584 0.82 PIK3CD (0.41) PIK3CDPIK3CAPIK3R1GPR119HDAC3
SCHEMBL25733434 0.82 PIK3CD (0.41) PIK3CDPIK3CAPIK3R1GPR119HDAC3
SCHEMBL31730977 0.81 KDM4E (0.38) PIK3CDPIK3CAHDAC3HDAC4HDAC1
SCHEMBL25733537 0.81 KDM4E (0.38) PIK3CDPIK3CAHDAC3HDAC4HDAC1

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-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 — — 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-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE PIK3CD 138/4885PIK3CA 132/4885PIK3R1 513/4885

“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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