SCHEMBL4918236

SCHEMBL4918236

CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc3c(N)c(Cl)ccc3n2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.36
▸ MAP4K4 O95819 4/20 0.36
▸ PRKAB2 O43741 2/20 0.35
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ PRKAG3 Q9UGI9 2/20 0.35
▸ PRKAG2 Q9UGJ0 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ ACACB O00763 1/20 0.35

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
SCHEMBL4929353 1.00 P2RX7 (0.36) P2RX7MAP4K4PRKAB2PRKAG1PRKAA2
SCHEMBL4925056 0.80 P2RX7 (0.52) P2RX7ACACB
SCHEMBL4916876 0.79 P2RX7 (0.47) P2RX7ACACB
SCHEMBL4918026 0.76 P2RX7 (0.55) P2RX7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4929348 0.76 P2RX7 (0.71) P2RX7
SCHEMBL1978384 0.74 CHRNB2 (0.48) —
SCHEMBL1978385 0.74 CHRNB2 (0.48) —
SCHEMBL18291259 0.74 NPC1 (0.34) MAP4K4
SCHEMBL25311546 0.73 EGLN1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25311537 0.73 EGLN1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-20080058309-A1 Novel Compounds 171 ASTRAZENECA AB 2008-03-06 — — 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-20080058309-A1 Novel Compounds 171 C1R, F12, ADRA1D P2RX7 309/4885MAP4K4 3567/4885PRKAB2 2799/4885

“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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