SCHEMBL5579149

SCHEMBL5579149

Cc1nc(Cl)c2scc(C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 5/20 0.35
KDM4E B2RXH2 4/20 0.35
RXFP1 Q9HBX9 4/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
PRKCI P41743 5/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
PDE5A O76074 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL358761 0.84 PDPK1 (0.37) PDPK1SMN1; SMN2NPSR1KDM4ERXFP1
SCHEMBL13780028 0.79 PDPK1 (0.39) PDPK1SMN1; SMN2NPSR1KDM4ERXFP1
SCHEMBL29936166 0.78 ADORA2A (0.37) PDPK1SMN1; SMN2KDM4ERXFP1PRKCI
SCHEMBL5313472 0.78 PDPK1 (0.38) PDPK1SMN1; SMN2NPSR1KDM4ERXFP1
SCHEMBL23498442 0.77 SMN1; SMN2 (0.35) PDPK1SMN1; SMN2NPSR1KDM4ERXFP1
SCHEMBL12094370 0.76 PDPK1 (0.37) PDPK1SMN1; SMN2NPSR1KDM4ERXFP1
SCHEMBL30808259 0.76 LIMK1 (0.41) PDPK1SMN1; SMN2NPSR1KDM4ERXFP1
SCHEMBL29936201 0.75 PDE10A (0.50) PDE4BPDE7A
SCHEMBL23519900 0.75 PDE10A (0.50) PDE4BPDE7A
Hydrochloric Acid SCHEMBL30277806 0.74 LIMK1 (0.41) PDPK1SMN1; SMN2NPSR1KDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4073073-B1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARM SPA (IT) 2023-12-06 EP disclosed
US-20230061417-A1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-03-02 US disclosed
EP-4073073-A1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2022-10-19 EP 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
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-2021116257-A1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-06-17 WO 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
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US 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 (4 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-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 PDPK1 396/4885SMN1; SMN2 3854/4885NPSR1 3993/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 PDPK1 396/4885SMN1; SMN2 3854/4885NPSR1 3993/4885
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 PDPK1 2608/4885SMN1; SMN2 2052/4885NPSR1 1473/4885
US-20230061417-A1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS LPAR2, LPAR5, LPAR1 PDPK1 362/4885SMN1; SMN2 3846/4885NPSR1 915/4885

“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.