SCHEMBL103673

SCHEMBL103673

CCCc1cc(N2CCN(CCO)CC2)ncc1C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
KHK P50053 2/20 0.36
MAPK1 P28482 1/20 0.34
LRRK2 Q5S007 3/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ABL1 P00519 2/20 0.33
SIK1 P57059 2/20 0.33
SIK2 Q9H0K1 2/20 0.33
SIK3 Q9Y2K2 2/20 0.33
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 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
SCHEMBL3596427 0.78 CSF1R (0.42) GAAALDH1A1HPGDTSHRSRC
SCHEMBL15369654 0.75 NR1H2 (0.48)
SCHEMBL102529 0.73 PARP1 (0.40) GAALRRK2ABL1SIK1SIK2
SCHEMBL106858 0.73 PDE4B (0.40) GAAMAPK1LRRK2WNT3AALDH1A1
SCHEMBL103779 0.73 NR1H2 (0.61)
SCHEMBL14872319 0.65 GAA (0.48) GAATLR9TLR8TLR7DYRK3
SCHEMBL10833510 0.64 HTR3A (0.66) GAAMAPK1LRRK2DYRK3CCNT1
SCHEMBL14868545 0.64 GAA (0.50) GAADYRK3CCNT1CDK9DYRK1A
SCHEMBL19338982 0.64 HRH4 (0.49) GAALRRK2ALDH1A1TSHR
SCHEMBL26707055 0.64 GAA (0.53) GAATLR9TLR8TLR7DYRK3

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 GAA 2147/4885KHK 2208/4885MAPK1 779/4885

“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.