SCHEMBL3705573

SCHEMBL3705573

O=C(NC1CN(C(=O)N2CCOCC2)C1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 0.39
USP2 O75604 2/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
AKR1C3 P42330 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
RIPK1 Q13546 1/20 0.33
NOTUM Q6P988 1/20 0.33
EPHX2 P34913 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL7493612 0.88 HDAC4 (0.35) TRPV1TYRO3MERTKHDAC6
SCHEMBL7501812 0.88 USP2 (0.37) USP2MKNK1MKNK2RIPK1NOTUM
SCHEMBL7496417 0.85 RIPK1 (0.38) F2RRIPK1EPHX2TYRO3MERTK
SCHEMBL3683699 0.84 HDAC4 (0.42) RIPK1HDAC6
SCHEMBL3709595 0.84 HDAC4 (0.35) PKMTRPV1TYRO3MERTKHDAC6
SCHEMBL7501903 0.84 GRIN2B (0.37) CYP2C19TRPV1NOTUMTYRO3MERTK
Hydrochloric Acid SCHEMBL3687760 0.83 HDAC4 (0.34) PKMTRPV1TYRO3MERTKHDAC6
SCHEMBL7501059 0.83 CNR1 (0.33) TRPV1EPHX2TYRO3MERTK
SCHEMBL7501784 0.83 POLB (0.36) PKMRIPK1TYRO3MERTKTSHR
SCHEMBL3704630 0.82 RIPK1 (0.37) F2RRIPK1EPHX2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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 (2 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 F2R 3694/4885USP2 3568/4885PKM 2286/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 F2R 3694/4885USP2 3568/4885PKM 2286/4885

“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.