SCHEMBL4411134

SCHEMBL4411134

COc1cc(-c2cnc3nc(N)nc(O)c3n2)ccc1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.55
PIK3CG P48736 4/20 0.47
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SYK P43405 1/20 0.43
NEK2 P51955 1/20 0.40
GAK O14976 2/20 0.39
STK17B O94768 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL5458977 0.85 PIK3CG (0.58) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4449231 0.84 NOS1 (0.60) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4451834 0.79 NOS1 (0.51) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4454683 0.78 NOS1 (0.60) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4446550 0.78 NOS1 (0.52) NOS1PIK3CGSYKGAK
SCHEMBL4411111 0.77 NOS1 (0.67) NOS1NEK2GAK
SCHEMBL6063528 0.77 NOS1 (0.68) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL5514530 0.77 NOS1 (0.59) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL17933665 0.76 NEK2 (0.44) NOS1PIK3CGPIK3CAPIK3CBSYK
SCHEMBL5523882 0.75 NOS1 (0.74) NOS1PIK3CGPIK3CAPIK3CBHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 WO 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 (2 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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS NOS1 3411/4885PIK3CG 3147/4885PIK3CA 2945/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF NOS1 107/4885PIK3CG 1315/4885PIK3CA 558/4885

“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.