SCHEMBL17490355

SCHEMBL17490355

Cc1ccnc2cc(F)cc(F)c12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
FERMT2 Q96AC1 1/20 0.34
PIK3R2 O00459 2/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
SCHEMBL29622889 0.77 AAK1 (0.34) AAK1FERMT2XIAPBIRC2
SCHEMBL22972418 0.77 AAK1 (0.34) AAK1FERMT2XIAPBIRC2
SCHEMBL16110837 0.77 AAK1 (0.34) AAK1FERMT2XIAPBIRC2
SCHEMBL29622975 0.77 AAK1 (0.40) AAK1FERMT2XIAPBIRC2
SCHEMBL4758327 0.77 AAK1 (0.40) AAK1FERMT2XIAPBIRC2
SCHEMBL16132325 0.77 AAK1 (0.41) AAK1FERMT2PIK3R2XIAPBIRC2
SCHEMBL4619983 0.74 PARP1 (0.44) PIK3R2
SCHEMBL4619603 0.71 FERMT2 (0.49) AAK1SMN1; SMN2FERMT2CCR1CCR5
SCHEMBL14446374 0.71 ALDH1A1 (0.37) AAK1SMN1; SMN2CCR1CCR5CCR8
SCHEMBL13633973 0.71 MKNK1 (0.35) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 AAK1 1161/4885SMN1; SMN2 3186/4885FERMT2 4488/4885

“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.