SCHEMBL4059176

SCHEMBL4059176

Fc1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
NDUFS2 O75306 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2B P41595 1/20 0.35
HTR3A P46098 1/20 0.35
HTR6 P50406 1/20 0.35
KCNH2 Q12809 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
APP P05067 1/20 0.35
HPGD P15428 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4063393 0.88 MKNK1 (0.39) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9
SCHEMBL13607983 0.84 CCNT1 (0.39) ADRA2AAPPHPGDCCNT1CCNA2
SCHEMBL4050911 0.83 ADRA2A (0.38) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9
SCHEMBL4058304 0.82 ADORA2A (0.40) PCSK9NOS3NOS1NOS2GPER1
SCHEMBL4056967 0.80 SMN1; SMN2 (0.39) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9
SCHEMBL4051786 0.80 P2RY14 (0.43) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9
SCHEMBL4061552 0.80 NOS3 (0.41) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9
SCHEMBL4058372 0.79 TSHR (0.47) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9
SCHEMBL4055039 0.79 KIT (0.43) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9
SCHEMBL4062701 0.78 AHR (0.45) ADRA2ANDUFS2CHRM2CYP2C8CYP2C9

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B ADRA2A 1360/4885NDUFS2 1303/4885CHRM2 2050/4885

“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.