SCHEMBL26773249

SCHEMBL26773249

CCCC(C)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SOS1 Q07889 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
IDH1 O75874 1/20 0.32
ACHE P22303 1/20 0.32
NR3C1 P04150 2/20 0.31
NTRK1 P04629 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PGR P06401 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL24247717 0.87 GAA (0.38) GAALMNAPOLBSOS1CYP2C19
SCHEMBL2737292 0.79 GAA (0.38) GAALMNAPOLBSOS1CYP2C19
SCHEMBL20763634 0.76 GAA (0.36) GAALMNAPOLBSOS1CYP2C19
SCHEMBL23888997 0.76 GAA (0.36) GAALMNAPOLBSOS1CYP2C19
SCHEMBL23379766 0.76 MEN1 (0.35) GAASOS1
SCHEMBL15730588 0.75 GAA (0.38) GAALMNAPOLBSOS1CYP2C19
Hydrochloric Acid SCHEMBL26916925 0.75 GAA (0.35) GAALMNAPOLBSOS1CYP2C19
SCHEMBL19369001 0.72 APLNR (0.42) CYP2C19CYP3A4NR3C1CYP1A2CYP2C9
SCHEMBL20229809 0.69 LRRK2 (0.36) ACHENTRK1CYP1A2
SCHEMBL805427 0.68 GAA (0.44) GAALMNAPOLBCYP2C19CYP3A4

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-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 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-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 GAA 728/4885LMNA 798/4885POLB 1093/4885

“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.