SCHEMBL8055642

SCHEMBL8055642

[2H]C([2H])(CC)c1nn(C)c(C(N)=O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
TERT O14746 5/20 0.38
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PRKACA P17612 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PRKCQ Q04759 1/20 0.32

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
SCHEMBL8056219 0.91 SMN1; SMN2 (0.40) SMN1; SMN2TERT
SCHEMBL617 0.83 SMN1; SMN2 (0.61) SMN1; SMN2TERTLMNANPC1RAB9A
SCHEMBL6446624 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TERTLMNANPC1RAB9A
Hydrochloric Acid SCHEMBL7813040 0.82 SMN1; SMN2 (0.60) SMN1; SMN2TERTLMNANPC1RAB9A
SCHEMBL13742735 0.78 SMN1; SMN2 (0.46) SMN1; SMN2TERTDAPK3PRKD3MAP4K4
SCHEMBL8055630 0.78 SMN1; SMN2 (0.75) SMN1; SMN2TERT
SCHEMBL6361850 0.76 SMN1; SMN2 (0.50) SMN1; SMN2TERTLMNANPC1RAB9A
SCHEMBL7008426 0.75 SMN1; SMN2 (0.42) SMN1; SMN2TERTDAPK3PRKD3MAP4K4
SCHEMBL6717347 0.73 SMN1; SMN2 (0.43) SMN1; SMN2TERTDAPK3PRKD3MAP4K4
SCHEMBL16972520 0.72 SMN1; SMN2 (0.87) SMN1; SMN2TERTLMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 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-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A SMN1; SMN2 1886/4885TERT 3651/4885LMNA 2826/4885

“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.