SCHEMBL15960565

SCHEMBL15960565

CC(C)n1cc(I)c2c(N)ccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.36
▸ RET P07949 7/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ TEK Q02763 6/20 0.35
▸ LCK P06239 5/20 0.35
▸ SRC P12931 2/20 0.35
▸ ADA P00813 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 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
SCHEMBL15960564 0.81 PIK3CD (0.36) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL25749096 0.81 PIK3CD (0.36) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL29321147 0.78 PIK3CD (0.34) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL25750400 0.76 TYK2 (0.40) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL1783992 0.75 PIK3CD (0.51) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL13482934 0.73 NCF1 (0.37) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL407871 0.69 ADK (0.46) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL800129 0.68 ADORA2A (0.57) ADAADORA2AADORA2BADORA1PI4KA
SCHEMBL31725474 0.68 RET (0.43) KDRRETPIK3CDPIK3CAPIK3CB
SCHEMBL26628372 0.68 RET (0.43) KDRRETPIK3CDPIK3CAPIK3CB

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-9416154-B2 5′-substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-08-16 — — US disclosed
US-20140235567-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-08-21 — — 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-20140235567-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES NT5C3B, PNP, SLC29A1 KDR 4162/4885RET 3261/4885PIK3CD 2952/4885

“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.

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