SCHEMBL4530567

SCHEMBL4530567

CCN1C(N)c2ccc(-c3ccccc3C)cc2N(OC(=O)C(F)(F)F)C1N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
SCN9A Q15858 6/20 0.33
ICMT O60725 1/20 0.33
PDK2 Q15119 1/20 0.33
TYMS P04818 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
NPY5R Q15761 1/20 0.32
FFAR1 O14842 1/20 0.31
HTR2C P28335 1/20 0.31
GRIN2B Q13224 1/20 0.31
AR P10275 1/20 0.31
HTR7 P34969 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL4517028 0.93 ICMT (0.35) MCL1EDNRBEDNRASCN9AICMT
SCHEMBL4519257 0.91
SCHEMBL4523513 0.83
SCHEMBL3742968 0.80 NR3C1 (0.31) SCN9A
SCHEMBL4526547 0.78 SCN9A (0.33) SCN9ATYMSDPP4DPP7
SCHEMBL4533719 0.77 DPP4 (0.35) SCN9APDK2DPP4DPP7AR
SCHEMBL4525626 0.74 HDAC1 (0.34) TYMSDPP4DPP7HDAC1HDAC2
SCHEMBL4528551 0.74 HDAC1 (0.34) TYMSDPP4DPP7HDAC1HDAC2
SCHEMBL3729375 0.71
SCHEMBL4524558 0.71 RXRA (0.42) ICMTFFAR1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP claimed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO claimed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 MCL1 3235/4885EDNRB 1450/4885EDNRA 2511/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 MCL1 3235/4885EDNRB 1450/4885EDNRA 2511/4885

“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.