SCHEMBL23489334

SCHEMBL23489334

N=C(N)Nc1cccc(C(=O)NCC(=O)NCCN)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.51
PRSS1 P07477 1/20 0.51
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PLAU P00749 1/20 0.41
TERT O14746 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PAK4 O96013 1/20 0.40

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
SCHEMBL6773153 0.88 ITGB3 (0.55) F10PRSS1ITGB3ITGA2BHTT
SCHEMBL7339143 0.86 RXFP1 (0.48) F10PRSS1HTTL3MBTL1GAA
SCHEMBL7340904 0.86 F10 (0.46) F10PRSS1ITGB3ITGA2BHTT
SCHEMBL7343748 0.84 MEN1 (0.46) F10PRSS1ITGB3ITGA2BHTT
SCHEMBL23518304 0.84 LMNA (0.45) F10PRSS1ITGB3ITGA2BHTT
SCHEMBL6366986 0.83 PLA2G10 (0.47) ITGB3ITGA2BHTTL3MBTL1MEN1
SCHEMBL7372871 0.83 PLK4 (0.50) GAAMEN1KMT2ARXFP1PLK4
SCHEMBL7343738 0.83 PLK4 (0.47) F10PRSS1ITGB3ITGA2BHTT
SCHEMBL7832432 0.82 GAA (0.47) F10PRSS1ITGB3ITGA2BGAA
Hydrochloric Acid SCHEMBL6368863 0.82 PLA2G10 (0.46) ITGB3ITGA2BHTTL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 F10 2049/4885PRSS1 346/4885ITGB3 957/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 F10 2049/4885PRSS1 346/4885ITGB3 957/4885

“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.