SCHEMBL22836536

SCHEMBL22836536

O=C(O)Nc1cnn2cc(C(F)F)cnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.40
PDE2A O00408 6/20 0.38
PDE3A Q14432 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KCNH2 Q12809 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GBA1 P04062 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
SCHEMBL22842961 0.81 IRAK4 (0.40) IRAK4PDE2APDE3APDE10A
SCHEMBL22834990 0.81 ATR (0.41) IRAK4KCNH2
SCHEMBL22835083 0.78 PDE2A (0.34) PDE2ACA12CA1CA2CA5A
SCHEMBL22836684 0.78 POLB (0.40) IRAK4PDE2APDE10AALDH1A1
SCHEMBL22834641 0.77 IRAK4 (0.34) IRAK4PDE2ACA12CA1CA2
SCHEMBL22834740 0.74 HSD11B1 (0.43) IRAK4PDE2A
Trifluoroacetic Acid SCHEMBL22834671 0.72 SMPD3 (0.36) IRAK4PDE2APDE3APDE10A
SCHEMBL22842982 0.70 SMPD3 (0.44) IRAK4
SCHEMBL29585797 0.62 NTRK1 (0.39)
SCHEMBL28718451 0.59 IRAK4 (0.37) IRAK4ALDH1A1

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-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 US disclosed
EP-3990454-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2022-05-04 EP disclosed
WO-2020263980-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2020-12-30 WO 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-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 IRAK4 1/4885PDE2A 1459/4885PDE3A 1309/4885

“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.