SCHEMBL9941262

SCHEMBL9941262

O=C(O)C1CCCC(Nc2nc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ncc(F)cc34)c(F)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.38
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PDE5A O76074 2/20 0.32
OGFRL1 Q5TC84 1/20 0.32
JAK2 O60674 1/20 0.32
MAPT P10636 1/20 0.31
MAT2A P31153 1/20 0.31
EGFR P00533 2/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL15401021 1.00 MAPK3 (0.38) MAPK3HCRTR1HCRTR2PDE5AOGFRL1
SCHEMBL9970907 0.88 TP53 (0.37) MAPT
SCHEMBL9970823 0.85 BTK (0.34) BTK
SCHEMBL15400717 0.84 HTR3A (0.34) BTK
SCHEMBL9970824 0.84 CDK7 (0.36) JAK2
SCHEMBL16188366 0.82 PDE5A (0.35) PDE5AGSK3AGSK3B
SCHEMBL9941696 0.80 GSK3A (0.41) JAK2GSK3AGSK3B
SCHEMBL9970822 0.80 GSK3A (0.41) JAK2GSK3AGSK3B
SCHEMBL15401009 0.80 GSK3A (0.41) JAK2GSK3AGSK3B
SCHEMBL9970868 0.78 GSK3A (0.34) JAK2GSK3AGSK3B

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-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
EP-2651941-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2013-10-23 EP disclosed
WO-2012083121-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 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-20140005197-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 MAPK3 1155/4885HCRTR1 3496/4885HCRTR2 4174/4885

“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.