SCHEMBL27428014

SCHEMBL27428014

Oc1nc2cc(Br)ccc2nc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.41
KDM4E B2RXH2 5/20 0.41
PABPC1 P11940 1/20 0.40
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
BACE1 P56817 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL30753428 0.87 NT5E (0.47) NT5EKDM4EPABPC1PIK3R1PIK3CA
SCHEMBL28117091 0.87 NT5E (0.47) NT5EKDM4EPABPC1PIK3R1PIK3CA
SCHEMBL6109123 0.81 PABPC1 (0.50) KDM4EPABPC1PIK3R1PIK3CAPIM1
SCHEMBL2610909 0.81 KDM4E (0.55) KDM4EBACE1MAPTCYP1A2CYP2C19
SCHEMBL2131136 0.81 KDM4E (0.55) KDM4EBACE1MAPTCYP1A2CYP2C19
SCHEMBL16512406 0.79 KDM4E (0.41) KDM4EPABPC1MAPTHTTMEN1
SCHEMBL2131608 0.77 MAPT (0.53) KDM4EPABPC1MAPTCYP1A2CYP2C19
SCHEMBL24188679 0.77 MAPT (0.50) KDM4EPABPC1MAPTCYP1A2CYP2C19
SCHEMBL31052303 0.76 NT5E (0.41) NT5EKDM4EPABPC1BACE1CYP1A2
SCHEMBL25220529 0.76 NT5E (0.41) NT5EKDM4EPABPC1BACE1CYP1A2

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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR NT5E 3835/4885KDM4E 3785/4885PABPC1 3286/4885

“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.