SCHEMBL5459260

SCHEMBL5459260

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4C(=S)Oc4ccccc4)c3n2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 10/20 0.55
NEK2 P51955 1/20 0.40
GAK O14976 2/20 0.38
MAP4K1 Q92918 1/20 0.36
STK17B O94768 1/20 0.35
MAP3K11 Q16584 1/20 0.35
FYN P06241 2/20 0.34
ADORA1 P30542 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 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
SCHEMBL5466005 0.92 NOS1 (0.54) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL5477031 0.88 NOS1 (0.58) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL5461552 0.87 NOS1 (0.53) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL5467850 0.86 NOS1 (0.53) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL6064705 0.86 NOS1 (0.60) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL5457330 0.85 NOS1 (0.53) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL6064797 0.85 NOS1 (0.56) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL5470365 0.84 NOS1 (0.53) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL5469775 0.84 NOS1 (0.51) NOS1NEK2GAKMAP4K1STK17B
SCHEMBL5461814 0.84 NOS1 (0.56) NOS1NEK2GAKMAP4K1STK17B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP claimed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US claimed
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF NOS1 107/4885NEK2 2774/4885GAK 2048/4885

“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.