SCHEMBL3779580

SCHEMBL3779580

CC(C)(C)C(NC(=O)O)C1(COc2cnc(F)c(-c3cccnc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.36
ABL1 P00519 3/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PDK2 Q15119 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
ECE1 P42892 1/20 0.34
GCK P35557 1/20 0.34
CTSA P10619 1/20 0.33
ABCB1 P08183 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
SCHEMBL3779564 0.91 ROCK1 (0.33) AKR1C3AKR1C2GSK3BGCK
SCHEMBL3771948 0.88 CNR2 (0.36) CTSA
SCHEMBL3767789 0.88 ECE1 (0.36) ABL1ALDH1A1SMN1; SMN2ECE1CTSA
SCHEMBL3781398 0.86 FFAR4 (0.35) ABL1
SCHEMBL3780099 0.86 MAP4K4 (0.36) CTSA
SCHEMBL3768528 0.86 SLC22A12 (0.37) ALDH1A1CTSA
SCHEMBL3779586 0.85 KDM1A (0.37) CTSA
SCHEMBL3778996 0.81 KDR (0.37) GSK3BDYRK1ACTSA
SCHEMBL3782750 0.81 FFAR4 (0.40) CTSA
SCHEMBL3773302 0.81 CYP4A11 (0.34)

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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG AHR 145/4885ABL1 1469/4885KMT2A 1759/4885

“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.