SCHEMBL6077779

SCHEMBL6077779

CCc1nc2c(-c3ccc(OC(F)F)cc3Cl)ncnc2n1Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
ERBB2 P04626 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL6079128 0.84 ERBB2 (0.44) CRHR1ERBB2
SCHEMBL6079122 0.79
SCHEMBL7031052 0.78 ERBB2 (0.56) CRHR1ERBB2
SCHEMBL7033056 0.77 ERBB2 (0.55) CRHR1ERBB2
SCHEMBL7029124 0.77 ERBB2 (0.55) CRHR1ERBB2
SCHEMBL6078154 0.77 ALDH1A1 (0.48) ERBB2PDE10A
SCHEMBL7037174 0.74
SCHEMBL7031048 0.74
SCHEMBL7036139 0.73 ERBB2 (0.44) CRHR1ERBB2
SCHEMBL7029117 0.73

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 CRHR1 3/4885ERBB2 3467/4885PDE10A 4432/4885

“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.