SCHEMBL23629422

SCHEMBL23629422

CCn1ncc2cc(Oc3ccc(N)cc3F)c(-c3cnn(C(=O)OC(C)(C)C)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
CACNA1H O95180 10/20 0.40
ROCK2 O75116 1/20 0.36
MAPK14 Q16539 1/20 0.35
PLK4 O00444 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
AXL P30530 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
MST1R Q04912 1/20 0.33
DDR1 Q08345 1/20 0.33
MERTK Q12866 1/20 0.33
CAMK4 Q16566 1/20 0.33
DDR2 Q16832 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
SCD O00767 1/20 0.33
SLC16A3 O15427 3/20 0.32

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
SCHEMBL680838 0.91 SCN9A (0.45) SCN9ACACNA1HROCK2PLK4NTRK1
SCHEMBL680999 0.81 PLK4 (0.42) SCN9ACACNA1HMAPK14PLK4NTRK1
SCHEMBL30444091 0.78 AXL (0.63) PLK4NTRK1RETMETAXL
SCHEMBL23629505 0.78 AXL (0.63) PLK4NTRK1RETMETAXL
SCHEMBL23629498 0.78 AXL (0.48) PLK4NTRK1RETMETAXL
SCHEMBL680501 0.78 SCN9A (0.43) SCN9ACACNA1HROCK2PLK4NTRK1
SCHEMBL30445428 0.77 SCN9A (0.36) SCN9ACACNA1HROCK2SCD
SCHEMBL23629482 0.77 AXL (0.56) PLK4NTRK1RETMETAXL
SCHEMBL23629511 0.77 AXL (0.56) PLK4NTRK1RETMETAXL
SCHEMBL23629497 0.77 AXL (0.55) PLK4NTRK1RETMETAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952364-B2 TRK inhibitors useful as anticancer drugs TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2024-04-09 US disclosed
CN-112739691-B TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2023-05-23 CN disclosed
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS TYLIGAND BIOSCIENCE (SHANGHAI) LIMITED (CN) 2022-12-08 US disclosed
EP-3848365-A1 TRK INHIBITOR AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2021-07-14 EP disclosed
CN-112739691-A TRK inhibitors as anticancer agents 泰励生物科技(上海)有限公司 2021-04-30 CN 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-11952364-B2 TRK inhibitors useful as anticancer drugs NTRK1, NTRK3, MUSK SCN9A 4177/4885CACNA1H 3579/4885ROCK2 969/4885
US-20220388983-A1 TRK INHIBITORS USEFUL AS ANTICANCER DRUGS NTRK1, NTRK3, MUSK SCN9A 4177/4885CACNA1H 3579/4885ROCK2 969/4885

“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.