SCHEMBL21823005

SCHEMBL21823005

Clc1ncnc2c(-c3ccccc3)csc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.51
GRM1 Q13255 11/20 0.49
CYP17A1 P05093 1/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL31336899 0.81 PDPK1 (0.53) PDPK1GRM1CYP17A1CYP1A2SMN1; SMN2
SCHEMBL23580747 0.81 PDPK1 (0.53) PDPK1GRM1CYP17A1CYP1A2SMN1; SMN2
SCHEMBL7681409 0.77 HTR2C (0.58) PDPK1GRM1CYP17A1CYP1A2SMN1; SMN2
SCHEMBL30808044 0.76 PDPK1 (0.48) PDPK1GRM1CYP17A1CYP1A2KMT2A
SCHEMBL21823173 0.76 PDPK1 (0.48) PDPK1GRM1CYP17A1CYP1A2SMN1; SMN2
SCHEMBL21823101 0.74 PDPK1 (0.46) PDPK1GRM1CYP17A1CYP1A2DAPK3
SCHEMBL28613381 0.74 PDPK1 (0.49) PDPK1GRM1CYP17A1CYP1A2
SCHEMBL2368374 0.73 SMN1; SMN2 (0.77) SMN1; SMN2MAPTHTTKMT2ADAPK3
SCHEMBL865770 0.71 AXL (0.42) SMN1; SMN2MAPTHTTKMT2ALMNA
SCHEMBL29659357 0.71 AXL (0.42) SMN1; SMN2MAPTHTTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 US disclosed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 EP disclosed
CN-115151550-A Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2022-10-04 CN disclosed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 EP disclosed
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2021-10-21 US disclosed
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 EP disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
CN-113039182-A Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment 伊文蒂瓦公司 2021-06-25 CN disclosed
WO-2020070181-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2020-04-09 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 (3 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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 PDPK1 279/4885GRM1 1794/4885CYP17A1 3087/4885
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 PDPK1 396/4885GRM1 4125/4885CYP17A1 3317/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 PDPK1 396/4885GRM1 4125/4885CYP17A1 3317/4885

“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.