SCHEMBL4192949

SCHEMBL4192949

O=NC(=O)c1cc2n(n1)CCNC2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
SOD3 P08294 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
SCHEMBL12282789 0.83 PDCD1 (0.43) PDCD1CD274SOD3
Hydrochloric Acid SCHEMBL27147176 0.81 PDCD1 (0.42) PDCD1CD274SOD3
SCHEMBL23652744 0.81 PDCD1 (0.42) PDCD1CD274SOD3
SCHEMBL1684264 0.81 PDCD1 (0.39) PDCD1CD274SOD3
SCHEMBL30915369 0.78 PDCD1 (0.40) PDCD1CD274SOD3
SCHEMBL25410303 0.78 BAZ2B (0.43) PDCD1CD274SOD3
SCHEMBL26093107 0.78 PLAT (0.41) PDCD1CD274
SCHEMBL2522852 0.74 PDCD1 (0.43) PDCD1CD274
SCHEMBL30699672 0.74 PDCD1 (0.39) PDCD1CD274
SCHEMBL10289434 0.74 PDCD1 (0.41) PDCD1CD274SOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP PDCD1 1322/4885CD274 1940/4885SOD3 3414/4885

“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.