SCHEMBL5906925

SCHEMBL5906925

COC(=O)C(Cc1ccccc1)Nc1cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KLK5 Q9Y337 1/20 0.46
F11 P03951 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
AAK1 Q2M2I8 2/20 0.42
MAP4K4 O95819 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP17A1 P05093 1/20 0.41
TACR3 P29371 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
JAK2 O60674 1/20 0.41
ITGA4 P13612 2/20 0.41

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
SCHEMBL5906929 1.00 NPR3 (0.51) NPR3CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL5906731 0.86 ADORA3 (0.53) MAPTADORA3TACR3LMNATP53
SCHEMBL5906735 0.86 ADORA3 (0.53) MAPTADORA3TACR3LMNATP53
SCHEMBL5906875 0.85 KLK5 (0.46) NPR3CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL5906879 0.85 KLK5 (0.46) NPR3CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL5906767 0.83 ELANE (0.48) CYP3A4CYP2C19MAPTADORA3TACR3
SCHEMBL5906841 0.83 TACR3 (0.47) CYP3A4CYP2C19MAPTKDM4EADORA3
SCHEMBL5906837 0.83 TACR3 (0.47) CYP3A4CYP2C19MAPTKDM4EADORA3
SCHEMBL5906861 0.83 ELANE (0.48) CYP3A4CYP2C19MAPTADORA3TACR3
SCHEMBL5906697 0.83 TACR3 (0.47) CYP3A4CYP2C19MAPTKDM4EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 NPR3 444/4885CYP3A4 453/4885CYP2C8 509/4885

“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.