SCHEMBL21753560

SCHEMBL21753560

Cc1ccc(-c2cn(C3CC3)nc(C(=O)O)c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SRC P12931 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RIPK2 O43353 1/20 0.33
KDM5A P29375 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL21176835 0.92 CFTR (0.40) ALDH1A1CFTR
SCHEMBL21753543 0.87 CSNK1D (0.44) ALDH1A1KMT2ACSNK1DCSNK1E
SCHEMBL21753510 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGABRB2
SCHEMBL23584944 0.82 DRD2 (0.44) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL29576306 0.82 IRAK4 (0.47)
SCHEMBL21177259 0.79 IRAK4 (0.48) ALDH1A1CSNK1DCSNK1ECFTR
SCHEMBL24292889 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL21176859 0.77 TARBP2 (0.41) ALDH1A1MEN1KMT2AGABRB2
SCHEMBL29902513 0.76 IRAK4 (0.47) CSNK1DCSNK1ERIPK2BTK
SCHEMBL21753540 0.75 LMNA (0.46) ALDH1A1MEN1KMT2AGABRB2

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
EP-3842425-B1 NOVEL QUINOLINE DERIVATIVE INHIBITOR TRANSTHERA SCIENCES NANJING INC (CN) 2024-05-22 EP disclosed
CN-110857293-B Novel quinoline derivative inhibitor 药捷安康(南京)科技股份有限公司 2023-01-10 CN disclosed
US-20220073496-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-03-10 US disclosed
US-20220073496-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-03-10 US disclosed
EP-3842425-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-06-30 EP disclosed
EP-3842425-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-06-30 EP disclosed
CN-110857293-A Novel quinoline derivative inhibitor 南京药捷安康生物科技有限公司 2020-03-03 CN disclosed
WO-2020038460-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR 南京药捷安康生物科技有限公司 2020-02-27 WO disclosed
WO-2020038460-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR 南京药捷安康生物科技有限公司 2020-02-27 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-20220073496-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR CSF1R, CSF3R, FLT3 DRD2 2725/4885DRD4 4132/4885DRD3 3236/4885

“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.