SCHEMBL4058457

SCHEMBL4058457

FC(F)(F)c1cccc(-c2cnc3nc(C4CCCCC4)[nH]c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
USP30 Q70CQ3 10/20 0.48
GRIN1 Q05586 6/20 0.43
GRIN2B Q13224 6/20 0.43
MAPK13 O15264 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 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
SCHEMBL4062469 0.83 USP30 (0.63) ADORA1USP30ADORA3ADORA2AADORA2B
SCHEMBL13608179 0.82 GRIN1 (0.48) ADORA1GRIN1GRIN2B
SCHEMBL4059431 0.80 ADORA1 (0.50) ADORA1USP30ADORA3ADORA2AADORA2B
SCHEMBL4055961 0.80 GRIN1 (0.46) GRIN1GRIN2B
SCHEMBL4058461 0.76 SCN2A (0.56) ADORA1GRIN1GRIN2BMAPK13MAPK9
SCHEMBL4051508 0.76 USP30 (0.47) ADORA1USP30ADORA3ADORA2AADORA2B
SCHEMBL4061915 0.75 USP30 (0.46) ADORA1USP30ADORA3ADORA2AADORA2B
SCHEMBL4057030 0.74 SCN2A (0.53) ADORA1MAPK13MAPK9MAPK12MAPK11
SCHEMBL4054509 0.74 USP30 (0.47) ADORA1USP30ADORA3ADORA2AADORA2B
SCHEMBL4063852 0.74 USP30 (0.70) USP30

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 ADORA1 3592/4885USP30 2997/4885GRIN1 3175/4885

“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.