SCHEMBL21753543

SCHEMBL21753543

O=C(O)c1nn(C2CC2)cc(-c2ccc(F)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 10/20 0.44
CSNK1E P49674 10/20 0.44
IRAK4 Q9NWZ3 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34

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
SCHEMBL21177259 0.92 IRAK4 (0.48) CSNK1DCSNK1EIRAK4ALDH1A1
SCHEMBL29902513 0.90 IRAK4 (0.47) CSNK1DCSNK1EIRAK4GSK3BDYRK1A
SCHEMBL21753560 0.87 DRD2 (0.38) CSNK1DCSNK1EKMT2AALDH1A1
SCHEMBL21753540 0.82 LMNA (0.46) KMT2AALDH1A1HPGD
SCHEMBL23584998 0.80 DRD2 (0.42) CSNK1DCSNK1EPTGS1PTGS2
SCHEMBL21176835 0.79 CFTR (0.40) IRAK4ALDH1A1
SCHEMBL24292953 0.78 HTR7 (0.38) CSNK1DCSNK1EIRAK4KMT2AGSK3B
SCHEMBL23160878 0.78 CSNK1D (0.48) CSNK1DCSNK1EKMT2AGSK3BBCL2L1
SCHEMBL21753533 0.76 CSNK1D (0.47) CSNK1DCSNK1EKMT2A
SCHEMBL21176856 0.76 IRAK4 (0.43) IRAK4KMT2ASMN1; SMN2ALDH1A1HPGD

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
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-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-09-22 US disclosed
US-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-09-22 US disclosed
CN-112625027-B Heterocyclic derivatives and use thereof 药捷安康(南京)科技股份有限公司 2022-09-09 CN disclosed
EP-4036086-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2022-08-03 EP 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-112625027-A Heterocyclic derivatives and use thereof 南京药捷安康生物科技有限公司 2021-04-09 CN disclosed
WO-2021057782-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO disclosed
WO-2021057782-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO 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 (2 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 CSNK1D 462/4885CSNK1E 203/4885IRAK4 58/4885
US-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF RET, MERTK, MIF CSNK1D 676/4885CSNK1E 432/4885IRAK4 367/4885

“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.