SCHEMBL4918026

SCHEMBL4918026

Nc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 14/20 0.55
▸ PDE10A Q9Y233 2/20 0.42
▸ PRKAB2 O43741 3/20 0.41
▸ PRKAG1 P54619 3/20 0.41
▸ PRKAA2 P54646 3/20 0.41
▸ PRKAA1 Q13131 3/20 0.41
▸ PRKAG3 Q9UGI9 3/20 0.41
▸ PRKAG2 Q9UGJ0 3/20 0.41
▸ PRKAB1 Q9Y478 3/20 0.41
▸ SMPD3 Q9NY59 1/20 0.39

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
SCHEMBL17310957 0.84 P2RX7 (0.59) P2RX7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3837306 0.81 LMNA (0.53) P2RX7
SCHEMBL4918236 0.76 P2RX7 (0.36) P2RX7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4929353 0.76 P2RX7 (0.36) P2RX7PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4779101 0.76 NPC1 (0.51) SMPD3
SCHEMBL5128181 0.75 MAP4K4 (0.43) P2RX7
SCHEMBL12701400 0.74 P2RX7 (0.45) P2RX7PDE10A
SCHEMBL5122944 0.74 SHMT2 (0.62) —
SCHEMBL5744327 0.73 P2RX7 (0.68) P2RX7
SCHEMBL1804218 0.73 P2RX7 (0.68) P2RX7

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 309/4885PDE10A 184/4885PRKAB2 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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