SCHEMBL61883

SCHEMBL61883

Cc1nc(Cl)nc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.53
PAK4 O96013 1/20 0.53
SGK1 O00141 5/20 0.40
PDE2A O00408 1/20 0.39
BTK Q06187 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PDPK1 O15530 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL53863 0.83 PLK4 (0.47) PLK4PAK4PDE2ABTKSMN1; SMN2
SCHEMBL7888421 0.79 CHEK1 (0.40) PLK4PAK4SGK1SMN1; SMN2ALDH1A1
SCHEMBL130504 0.77 PLK4 (0.57) PLK4PAK4PDE2ABTKALDH1A1
SCHEMBL14570604 0.76 ADORA2A (0.47) PLK4PAK4SGK1SMN1; SMN2ALDH1A1
SCHEMBL166657 0.76 PLK4 (0.42) PLK4PAK4SMN1; SMN2ALDH1A1ADORA3
SCHEMBL2266999 0.76 PLK4 (0.45) PLK4PAK4PDE2ABTKSMN1; SMN2
SCHEMBL560806 0.76 RET (0.52) PLK4PAK4PDE2ABTKSMN1; SMN2
SCHEMBL19414396 0.76 CHEK1 (0.54) PLK4PAK4PDE2ABTKSMN1; SMN2
SCHEMBL129645 0.76 PLK4 (0.46) PLK4PAK4PDE2ABTKSMN1; SMN2
SCHEMBL16052607 0.76 PLK4 (0.46) PLK4PAK4SGK1PDE2ABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 WO disclosed
US-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF TYK MEDICINES, INC. (CN) 2023-07-27 US disclosed
WO-2016100349-A2 BICYCLIC AZAHETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-06-23 WO disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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 (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-20230234954-A1 COMPOUND USED AS RET KINASE INHIBITOR AND APPLICATION THEREOF RET, ROR1, FGFR3 PLK4 1763/4885PAK4 143/4885SGK1 147/4885
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD PLK4 185/4885PAK4 85/4885SGK1 201/4885

“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.