SCHEMBL31731048

SCHEMBL31731048

c1cc(-c2nc3c(N4CCOCC4)nc(-n4ccc(C5CC5)n4)nc3n2C2CC2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.38
▸ CNR1 P21554 8/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AR P10275 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
SCHEMBL25733242 1.00 CNR2 (0.38) CNR2CNR1PIK3CAMTORPIK3CG
SCHEMBL25733537 0.86 KDM4E (0.38) CNR2PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL31730977 0.86 KDM4E (0.38) CNR2PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL31730946 0.85 CNR2 (0.43) CNR2CNR1PDE10AKDM4EALDH1A1
SCHEMBL25733331 0.85 CNR2 (0.43) CNR2CNR1PDE10AKDM4EALDH1A1
SCHEMBL31730846 0.85 KDM4E (0.45) CNR2PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL25733517 0.85 KDM4E (0.45) CNR2PIK3CAPDE10AKDM4EALDH1A1
SCHEMBL25276103 0.84 KDM4E (0.44) CNR2PDE10AKDM4EALDH1A1HPGD
SCHEMBL25281801 0.84 LMNA (0.48) CNR2CNR1PIK3CAMTORPDE10A
SCHEMBL31730882 0.84 PIK3CA (0.41) CNR2CNR1PIK3CAMTORPIK3CG

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 CNR2 4215/4885CNR1 4210/4885PIK3CA 132/4885

“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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