SCHEMBL4411111

SCHEMBL4411111

COc1cc(-c2cnc3nc(N)nc(N4CCN(c5ccc(C)cc5)CC4)c3n2)ccc1OC(C)C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.67
GAK O14976 2/20 0.47
MAP4K1 Q92918 3/20 0.45
NEK2 P51955 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
LCK P06239 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL5464535 0.93 NOS1 (0.77) NOS1GAKMAP4K1NEK2ACHE
SCHEMBL5481513 0.87 NOS1 (0.65) NOS1GAKMAP4K1NEK2ACHE
SCHEMBL5456864 0.85 NOS1 (0.78) NOS1GAKMAP4K1NEK2ACHE
SCHEMBL5510661 0.81 NOS1 (0.83) NOS1GAKMAP4K1NEK2PDE4A
SCHEMBL5513542 0.81 NOS1 (0.98) NOS1GAKMAP4K1NEK2PDE4A
SCHEMBL4460917 0.81 NOS1 (0.81) NOS1GAKNEK2
Water SCHEMBL6499440 0.81 NOS1 (0.81) NOS1GAKMAP4K1NEK2PDE4A
SCHEMBL5509568 0.80 NOS1 (1.00) NOS1GAKMAP4K1NEK2PDE4A
Water SCHEMBL6481921 0.80 NOS1 (0.80) NOS1GAKNEK2
SCHEMBL5459346 0.79 NOS1 (0.64) NOS1GAKMAP4K1NEK2PDE4A

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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-12-24 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-20090318456-A1 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HAVCR2, TYMP, HCCS NOS1 3411/4885GAK 1647/4885MAP4K1 3490/4885

“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.