SCHEMBL545969

SCHEMBL545969

NCc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
TSHR P16473 3/20 0.57
GLA P06280 1/20 0.57
POLB P06746 1/20 0.57
NR1H2 P55055 1/20 0.53
IDO1 P14902 3/20 0.42
KIF11 P52732 3/20 0.40
AR P10275 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SRC P12931 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL8174853 0.85 GAA (0.59) GAATSHRGLAPOLBNR1H2
SCHEMBL2798167 0.84 GAA (0.53) GAATSHRGLAPOLBNR1H2
SCHEMBL29889088 0.83 GAA (0.57) GAATSHRGLAPOLBNR1H2
SCHEMBL2579444 0.83 GAA (0.57) GAATSHRGLAPOLBNR1H2
SCHEMBL26460616 0.82 GAA (0.55) GAATSHRGLAPOLBNR1H2
SCHEMBL14549281 0.82 GAA (0.55) GAATSHRGLAPOLBNR1H2
SCHEMBL282158 0.82 NR1H2 (0.55) GAATSHRGLAPOLBNR1H2
SCHEMBL16241632 0.82 TSHR (0.55) GAATSHRGLAPOLBNR1H2
SCHEMBL2795017 0.81 GAA (0.50) GAATSHRGLAPOLBNR1H2
SCHEMBL2796985 0.80 GAA (0.48) GAATSHRGLAPOLBNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
CN-114206870-B Tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2024-09-03 CN disclosed
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-08-08 US disclosed
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors NOVARTIS AG (CH) 2024-04-30 US disclosed
EP-4349839-A2 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2024-04-10 EP disclosed
EP-4013500-B1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2023-10-25 EP disclosed
US-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-06 US disclosed
EP-4013500-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2022-06-22 EP disclosed
CN-114206870-A Tricyclic AKR1C3 dependent KARS inhibitors 诺华股份有限公司 2022-03-18 CN disclosed
WO-2021005586-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2021-01-14 WO disclosed
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 US disclosed
CN-110891560-A Dual modulators of farnesoid X receptor and soluble epoxide hydrolase 法兰克福大学 2020-03-17 CN disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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 (6 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-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885TSHR 3665/4885GLA 3074/4885
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 GAA 2055/4885TSHR 801/4885GLA 4534/4885
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885TSHR 3665/4885GLA 3074/4885
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors AKR1C2, AKR1B1, AKR1C1 GAA 541/4885TSHR 3665/4885GLA 3074/4885
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 GAA 541/4885TSHR 3665/4885GLA 3074/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 GAA 1352/4885TSHR 4347/4885GLA 3917/4885

“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.