SCHEMBL24399629

SCHEMBL24399629

COC(=O)c1cnc2c(N)ncnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
KIT P10721 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FLT1 P17948 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
SCHEMBL24399597 0.81 XDH (0.38) KDM4ERAB9ANPC1PDE4APDE4B
SCHEMBL187259 0.70 PDE4D (0.57) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL23030065 0.70 PDE4A (0.40) KDRKDM4EPDE4APDE4BPDE4C
SCHEMBL10120458 0.70 PI4KA (0.39) KDM4ERAB9ANPC1TSHRALDH1A1
SCHEMBL21943279 0.69 PI4KA (0.36) XDH
SCHEMBL22326722 0.69 PI4KA (0.37) KDM4ERAB9ANPC1TSHRALDH1A1
SCHEMBL14537333 0.68 NTRK1 (0.44) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL10118033 0.68 FGFR1 (0.57) PLK4AURKADAPK3ROCK2PAK4
SCHEMBL21539219 0.67 PI4KA (0.33)
SCHEMBL8700542 0.67 SMN1; SMN2 (0.48) KDM4ERAB9ANPC1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-10-05 US disclosed
CN-116761801-A Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same 四川科伦博泰生物医药股份有限公司 2023-09-15 CN disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
CN-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed
WO-2022188792-A1 HETEROCYCLIC COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-09-15 WO disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 WO disclosed
WO-2022089219-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-05-05 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-20230312556-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF AHR, ARNT, NOTUM PLK4 3990/4885AURKA 2128/4885DAPK3 4863/4885

“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.