SCHEMBL18737985

SCHEMBL18737985

Cc1ccc2cc(C(=N)N)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLAU P00749 11/20 0.64
PRSS1 P07477 6/20 0.64
PLG P00747 5/20 0.64
F2 P00734 5/20 0.64
KLK1 P06870 3/20 0.64
KLKB1 P03952 3/20 0.64
F12 P00748 2/20 0.62
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
CYP2A6 P11509 2/20 0.54
CYP1A2 P05177 1/20 0.54
F10 P00742 1/20 0.51
PLAT P00750 2/20 0.50
ASIC3 Q9UHC3 1/20 0.50
C1S P09871 1/20 0.50

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
SCHEMBL15601786 0.79 LCK (0.62) PLAUCYP2A6CYP1A2
SCHEMBL3370031 0.78 PLAU (1.00) PLAUPRSS1PLGF2KLK1
SCHEMBL29941688 0.78 PLAU (1.00) PLAUPRSS1PLGF2KLK1
SCHEMBL23640969 0.78 CYP2A6 (0.52) PLAUPRSS1PLGF2KLK1
SCHEMBL7336455 0.77 PLAU (0.78) PLAUPRSS1PLGF2KLK1
SCHEMBL3111985 0.77 PLAU (0.59) PLAUPRSS1PLGF2KLK1
4-Methylbenzimidamide SCHEMBL524027 0.77 LMNA (0.59) PLAUPRSS1F2F12PRSS2
SCHEMBL3301671 0.77 F12 (1.00) PLAUPRSS1PLGF2KLK1
SCHEMBL31499215 0.77 F12 (1.00) PLAUPRSS1PLGF2KLK1
SCHEMBL7362642 0.77 PLAU (0.72) PLAUPRSS1PLGF2KLK1

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-9808452-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2017-11-07 US disclosed
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2017-04-13 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 (1 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-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 PLAU 1328/4885PRSS1 717/4885PLG 1740/4885

“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.