SCHEMBL7033696

SCHEMBL7033696

CCCCCCCn1c(CC)nc2c(-c3ccc(Cl)cc3CC)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.42
HSP90B1 P14625 2/20 0.41
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 5/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL7032248 0.91 HSP90B1 (0.44) ERBB2HSP90B1HSP90AA1HSP90AB1
SCHEMBL7028964 0.91 HSP90B1 (0.44) ERBB2HSP90B1HSP90AA1HSP90AB1
SCHEMBL7237191 0.90 ERBB2 (0.40) ERBB2HSP90B1HSP90AA1HSP90AB1PSEN1
SCHEMBL7032141 0.89 HSP90B1 (0.45) ERBB2HSP90B1HSP90AA1HSP90AB1
SCHEMBL7037300 0.86 ERBB2 (0.38) ERBB2HSP90B1HSP90AA1HSP90AB1
SCHEMBL7037326 0.85 ERBB2 (0.38) ERBB2HSP90B1HSP90AA1HSP90AB1
SCHEMBL7036754 0.83 ERBB2 (0.42) ERBB2HSP90AA1HSP90AB1
SCHEMBL7036738 0.82 ERBB2 (0.43) ERBB2HSP90AA1HSP90AB1
SCHEMBL7029124 0.81 ERBB2 (0.55) ERBB2HSP90AA1HSP90AB1
SCHEMBL7033056 0.81 ERBB2 (0.55) ERBB2HSP90AA1HSP90AB1

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-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-06-19 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-20030114468-A1 Imidazopyrimidines and imidazopyridines for the treatment of neurological disorders CRH, CRHR1, CRHR2 ERBB2 2186/4885HSP90B1 257/4885HSP90AA1 338/4885

“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.