SCHEMBL19748062

SCHEMBL19748062

[2H]C([2H])([2H])c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TSHR P16473 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
HIF1A Q16665 1/20 0.52
CYP3A4 P08684 3/20 0.50
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
ACHE P22303 2/20 0.44
GPR35 Q9HC97 1/20 0.43
PDE2A O00408 1/20 0.42
PDE5A O76074 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
PDE4A P27815 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL171927 0.86 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL17070610 0.86 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL13138666 0.81 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL13138664 0.78 TSHR (0.76) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL85604 0.76 ALDH1A1 (0.69) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL28252591 0.76 ALDH1A1 (0.69) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL29379039 0.76 ALDH1A1 (0.69) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL12444157 0.75 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HIF1ACYP3A4
SCHEMBL2590213 0.75 HSD17B10 (0.67) ALDH1A1TSHRTDP1HIF1ALMNA
SCHEMBL2036497 0.75 ALDH1A1 (0.57) ALDH1A1TSHRTDP1HIF1ACYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-08-11 US disclosed
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 US disclosed
US-20200102315-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-04-02 US disclosed
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
US-10138248-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-γ inhibitors INCYTE CORPORATION (US) 2018-11-27 US disclosed
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2018-01-11 US disclosed
WO-2017223414-A1 HETEROCYCLIC COMPOUNDS AS PI3K-γ INHIBITORS INCYTE CORPORATION (US) 2017-12-28 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 (8 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA ALDH1A1 1354/4885TSHR 1148/4885TDP1 543/4885
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3R5 ALDH1A1 1774/4885TSHR 1179/4885TDP1 601/4885
US-20200102315-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885TSHR 2451/4885TDP1 370/4885
US-10138248-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-γ inhibitors PIK3CA, PIK3CG, PIK3CD ALDH1A1 1168/4885TSHR 1097/4885TDP1 469/4885
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA ALDH1A1 2818/4885TSHR 1103/4885TDP1 383/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885TSHR 2451/4885TDP1 370/4885
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885TSHR 2451/4885TDP1 370/4885
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD ALDH1A1 3638/4885TSHR 2451/4885TDP1 370/4885

“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.