SCHEMBL4858970

SCHEMBL4858970

Fc1ccccc1Cn1cc(Br)c2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DYRK1A Q13627 2/20 0.44
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NFATC1 O95644 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
GRM2 Q14416 1/20 0.41
ROCK2 O75116 1/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38

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
SCHEMBL4857474 0.90 DYRK1A (0.41) CYP19A1ALDH1A1HTTSMN1; SMN2DYRK1A
SCHEMBL4855301 0.85 DYRK1A (0.43) CYP19A1ALDH1A1HTTSMN1; SMN2DYRK1A
SCHEMBL4857053 0.81 DYRK1A (0.43) CYP19A1DYRK1AKCNH2NFATC1GSK3B
SCHEMBL29801631 0.80 DYRK1A (0.66) CYP19A1ALDH1A1SMN1; SMN2DYRK1AKCNH2
SCHEMBL4857531 0.80 DYRK1A (0.66) CYP19A1ALDH1A1SMN1; SMN2DYRK1AKCNH2
SCHEMBL4857216 0.79 DYRK1A (0.45) CYP19A1DYRK1AKCNH2NFATC1GSK3B
SCHEMBL4848675 0.78 DYRK1A (0.42) CYP19A1ALDH1A1DYRK1AKCNH2NFATC1
SCHEMBL4857049 0.78 DYRK1A (0.42) CYP19A1DYRK1AKCNH2NFATC1GSK3B
SCHEMBL4856748 0.78 DYRK1A (0.48) CYP19A1DYRK1AKCNH2NFATC1GSK3B
SCHEMBL4849658 0.78 DYRK1A (0.67) CYP19A1ALDH1A1HTTSMN1; SMN2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CYP19A1 1766/4885ALDH1A1 3257/4885HTT 4566/4885

“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.