SCHEMBL6079128

SCHEMBL6079128

CCCCCn1c(CC)nc2c(-c3ccc(OC(F)F)cc3Cl)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.44
CRHR1 P34998 3/20 0.41
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 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
SCHEMBL7036139 0.89 ERBB2 (0.44) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7031052 0.89 ERBB2 (0.56) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7033254 0.88 ERBB2 (0.44) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7029124 0.88 ERBB2 (0.55) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7033056 0.88 ERBB2 (0.55) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL6077779 0.84 CRHR1 (0.44) ERBB2CRHR1
SCHEMBL7032141 0.84 HSP90B1 (0.45) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7032248 0.83 HSP90B1 (0.44) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7036738 0.83 ERBB2 (0.43) ERBB2CRHR1HSP90AA1HSP90AB1
SCHEMBL7028964 0.83 HSP90B1 (0.44) ERBB2CRHR1HSP90AA1HSP90AB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045529-B2 Imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
US-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-18 US disclosed
EP-1244666-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES Bristol-Myers Squibb Pharma Company (US) 2002-10-02 EP disclosed
WO-2001044248-A1 IMIDAZOPYRIMIDINYL AND IMIDAZOPYRIDINYL DERIVATIVES BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-21 WO 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-20040229887-A1 Novel imidazopyrimidinyl and imidazopyri dinyl derivatives CRH, GPR119, CRHR1 ERBB2 3467/4885CRHR1 3/4885HSP90AA1 445/4885

“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.