SCHEMBL24820952

SCHEMBL24820952

Cc1nc(F)nc(N)c1N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL19864844 0.79 LMNA (0.37) NOS1LMNA
SCHEMBL9682575 0.75 IDO1 (0.38) NOS1LMNA
SCHEMBL2953500 0.74 ALDH1A1 (0.32) ALDH1A1L3MBTL1LMNANOS3NOS2
SCHEMBL1396931 0.72 LMNA (0.35) NOS1ALDH1A1L3MBTL1LMNANOS3
SCHEMBL10918419 0.72 ALDH1A1 (0.43) NOS1ALDH1A1L3MBTL1LMNANOS3
SCHEMBL6474069 0.68 CDK1 (0.35) ALDH1A1L3MBTL1LMNANOS3NOS2
SCHEMBL9466064 0.68 ALDH1A1 (0.32) ALDH1A1L3MBTL1LMNANOS3NOS2
SCHEMBL19978957 0.68
SCHEMBL10522523 0.67 KDM5B (0.30)
SCHEMBL18520121 0.67

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-20220411425-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-12-29 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-20220411425-A1 COMPOUNDS USEFUL IN HIV THERAPY CCR5, CD4, NFATC1 NOS1 3881/4885ALDH1A1 1598/4885L3MBTL1 3887/4885

“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.