SCHEMBL5820099

SCHEMBL5820099

Nc1csc2ncncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 2/20 0.38
MAP4K4 O95819 2/20 0.38
ABL1 P00519 2/20 0.38
NTRK1 P04629 2/20 0.38
LCK P06239 2/20 0.38
CSF1R P07333 2/20 0.38
RET P07949 2/20 0.38
MET P08581 2/20 0.38
PDGFRB P09619 2/20 0.38
FGFR1 P11362 2/20 0.38
PRKACA P17612 2/20 0.38
LTK P29376 2/20 0.38
KDR P35968 2/20 0.38
MAP2K2 P36507 2/20 0.38
MAPK8 P45983 2/20 0.38
CSNK1A1 P48729 2/20 0.38
CLK2 P49760 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
CDK7 P50613 2/20 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
SCHEMBL656542 0.77 CHEK1 (0.31) DAPK3MAP4K4ABL1NTRK1LCK
SCHEMBL18342618 0.75 HTT (0.32) DAPK3MAP4K4ABL1NTRK1LCK
SCHEMBL30362436 0.75 MRGPRX1 (0.33) DAPK3MAP4K4ABL1NTRK1LCK
SCHEMBL8274148 0.75 MRGPRX1 (0.33) DAPK3MAP4K4ABL1NTRK1LCK
SCHEMBL13920407 0.75 CYP2A6 (0.39) DAPK3MAP4K4ABL1NTRK1LCK
SCHEMBL31462337 0.72 PKM (0.31)
SCHEMBL30493448 0.72 RPS6KB1 (0.38)
SCHEMBL28013549 0.72 RPS6KB1 (0.38)
SCHEMBL22430452 0.71 DGAT1 (0.30)
SCHEMBL25943580 0.71 ELANE (0.34)

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
EP-4255893-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN The Johns Hopkins University (US) 2023-10-11 EP claimed
WO-2022119823-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN THE JOHNS HOPKINS UNIVERSITY (US) 2022-06-09 WO claimed
US-20240002395-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN THE JOHNS HOPKINS UNIVERSITY 2024-01-04 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
WO-2006100095-A1 SUBSTITUTED CARBOXAMIDES METHOD FOR PRODUCTION AND USE THEREOF AS TNF-ALPHA RELEASE INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-09-28 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 (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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 DAPK3 1010/4885MAP4K4 1430/4885ABL1 1860/4885
US-20240002395-A1 COMPOUNDS AND THEIR USE FOR TREATING NEUROPATHIC PAIN MRGPRX1, MRGPRX4, MRGPRX2 DAPK3 1231/4885MAP4K4 744/4885ABL1 2595/4885

“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.