SCHEMBL5551815

SCHEMBL5551815

[c]1c(-c2ncc[nH]2)ccc2[nH]nnc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.37
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 1/20 0.32
IDO1 P14902 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
SCHEMBL5320905 0.73 NPC1 (0.50) MTORALDH1A1KDM4E
SCHEMBL8521960 0.67
SCHEMBL10468266 0.66
SCHEMBL570244 0.66
SCHEMBL1130573 0.65 IDO1 (0.47) ALDH1A1KDM4EIDO1
SCHEMBL16670900 0.65
SCHEMBL269521 0.65
SCHEMBL27996777 0.65 CSNK1A1 (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL28581729 0.64 NISCH (0.52) NISCHMTORADKALDH1A1MEN1
SCHEMBL30216772 0.64 NISCH (0.52) NISCHMTORADKALDH1A1MEN1

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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NISCH 3037/4885MTOR 925/4885ADK 633/4885

“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.