SCHEMBL22235201

SCHEMBL22235201

Nc1cc(N2CCN(CC(F)F)CC2)c([N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 6/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR174 Q9BXC1 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL22234968 0.80 PIK3CA (0.34) ALDH1A1LMNA
SCHEMBL15770656 0.79 MAPT (0.52) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL20189974 0.71 MAPT (0.44) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL29742351 0.71 MAPT (0.44) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL25244770 0.69 MAPT (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL17055029 0.68 MAPT (0.62) MAPTSMN1; SMN2
SCHEMBL8564866 0.68 EGFR (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL19030014 0.68 IRAK4 (0.48) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL17055237 0.68 TRPC6 (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28115052 0.67 TDP1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A

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-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 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-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 MAPT 2697/4885ALDH1A1 1657/4885LMNA 2009/4885

“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.