SCHEMBL5014322

SCHEMBL5014322

CN(C)C(C(=O)N1CCCCC1)n1ncc2cncnc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.34
IRAK4 Q9NWZ3 4/20 0.33
PRMT3 O60678 1/20 0.33
VNN1 O95497 3/20 0.32
BTD P43251 1/20 0.32
PDE9A O76083 3/20 0.32
HPGD P15428 3/20 0.31
ALDH1A1 P00352 1/20 0.30
PDE1B Q01064 1/20 0.30

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
SCHEMBL5015298 0.81 PRMT3 (0.35) PIK3CDIRAK4PRMT3VNN1BTD
SCHEMBL5013993 0.74 P4HB (0.34) IRAK4PRMT3
SCHEMBL5032126 0.69 P4HB (0.35) IRAK4
SCHEMBL1567451 0.68 HPGD (0.34) IRAK4PRMT3VNN1BTDHPGD
SCHEMBL12370932 0.68 PIK3CD (0.43) PIK3CDIRAK4
SCHEMBL17770563 0.68 PRMT3 (0.35) PRMT3VNN1BTDHPGD
SCHEMBL17770565 0.68 PRMT3 (0.35) PRMT3VNN1BTDHPGD
SCHEMBL5014884 0.68 SIGMAR1 (0.38)
SCHEMBL1356971 0.66 HDAC8 (0.38) ALDH1A1
SCHEMBL5015617 0.66 SIGMAR1 (0.36)

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CD 7/4885IRAK4 239/4885PRMT3 1433/4885

“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.