SCHEMBL13084342

SCHEMBL13084342

CC[C@H]1O[C@@H](n2cnc3c(C)nc(Cl)nc32)[C@H](C)[C@@H]1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
ADORA3 P0DMS8 11/20 0.46
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
PDE2A O00408 1/20 0.43
ADRA1A P35348 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
ADORA2B P29275 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 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
SCHEMBL10026396 0.87 ADORA3 (0.61) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL10026379 0.87 ADORA3 (0.61) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL13084343 0.85 ADORA3 (0.46) ADORA3ADORA2AADORA1
SCHEMBL14030794 0.81 EHMT1 (0.43) TP53ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13084341 0.81 ADORA3 (0.50) LMNAADORA3ADORA2AADORA1ADORA2B
SCHEMBL10026359 0.79 LMNA (0.57) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL10026370 0.79 LMNA (0.57) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL10026368 0.79 LMNA (0.57) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL19366657 0.79 LMNA (0.57) LMNATP53ADORA3ADORA2AADORA1
SCHEMBL13046064 0.78 DNMT1 (0.49) LMNAADORA3ADORA2AADORA1ADORA2B

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-7807685-B2 Therapeutic compounds CBT DEVELOPMENT LIMITED (GB) 2010-10-05 US disclosed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 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-20080076776-A1 Therapeutic compounds FPR3, OGFR, OPRK1 LMNA 3103/4885TP53 4088/4885ADORA3 370/4885

“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.