SCHEMBL21753533

SCHEMBL21753533

O=C(O)c1cn(C2CC2)nc(-c2ccc(F)cc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.47
CSNK1E P49674 9/20 0.47
CSF1R P07333 1/20 0.45
BTK Q06187 3/20 0.45
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
DPP4 P27487 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
SCHEMBL29902525 0.88 BTK (0.52) CSNK1DCSNK1ECSF1RBTK
SCHEMBL21753546 0.82 CSF1R (0.45) CSNK1DCSNK1ECSF1RBTKMAPK14
SCHEMBL20028732 0.77 BTK (0.56) BTKKMT2A
SCHEMBL21753543 0.76 CSNK1D (0.44) CSNK1DCSNK1EKMT2A
SCHEMBL21753537 0.76 CSF1R (0.44) CSF1RMEN1KMT2AMAPK14
SCHEMBL20351779 0.73 MET (0.45) TOP2ATOP2BDPP4
SCHEMBL1555194 0.73 CSNK1D (0.42) CSNK1DCSNK1EBTKMAPK13MAPK12
SCHEMBL23152069 0.73 RECQL (0.50) MEN1KMT2A
SCHEMBL28876388 0.72 CSNK1D (0.43) CSNK1DCSNK1EBTKMEN1KMT2A
SCHEMBL18017550 0.72 BTK (0.57) BTK

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 203/4885CSF1R 1/4885
US-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF RET, MERTK, MIF CSNK1D 676/4885CSNK1E 432/4885CSF1R 135/4885

“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.