Sugi Predict

Sugi Predict / Compounds / SCHEMBL7501903

SCHEMBL7501903

SCHEMBL7501903

O=C(NC1CN(C(=O)Nc2ccccc2)C1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.37
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BRAF P15056 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ CDK5 Q00535 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
SCHEMBL7496417 0.89 RIPK1 (0.38) KCNK3KCNK9CHRM4TYRO3MERTK
SCHEMBL7496412 0.89 HDAC4 (0.37) GRIN2BHDAC3HDAC4HDAC7HDAC9
SCHEMBL3695032 0.88 EPHX2 (0.41) TYRO3MERTKCNR1
SCHEMBL7493612 0.87 HDAC4 (0.35) TYRO3MERTKTRPV1CNR1HDAC4
SCHEMBL7501784 0.87 POLB (0.36) TYRO3MERTKLMNAHDAC3HDAC4
SCHEMBL3704630 0.86 RIPK1 (0.37) HDAC3HDAC4HDAC7HDAC9HDAC5
SCHEMBL7501114 0.85 GHSR (0.37) CHRM4CNR1
SCHEMBL3683699 0.84 HDAC4 (0.42) CNR1HDAC4
SCHEMBL3705573 0.84 F2R (0.39) TYRO3MERTKTRPV1CYP2C19NOTUM
SCHEMBL3709595 0.84 HDAC4 (0.35) TYRO3MERTKTRPV1HDAC4

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-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 GRIN2B 3552/4885KCNK3 3797/4885KCNK9 4485/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 GRIN2B 3552/4885KCNK3 3797/4885KCNK9 4485/4885

“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.