SCHEMBL5458071

SCHEMBL5458071

c1nc(NC2CCCCCC2)c2nc[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
PKM P14618 2/20 0.61
HSD17B10 Q99714 1/20 0.61
PAK1 Q13153 1/20 0.59
HPGDS O60760 2/20 0.55
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
ADORA1 P30542 1/20 0.52
THPO P40225 1/20 0.52
PMP22 Q01453 1/20 0.52
EGFR P00533 1/20 0.51
JAK2 O60674 4/20 0.51
JAK1 P23458 4/20 0.51

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
SCHEMBL797230 1.00 LMNA (0.61) LMNAHTTPKMHSD17B10PAK1
SCHEMBL5452621 0.98 LMNA (0.60) LMNAHTTPKMHSD17B10PAK1
SCHEMBL9205078 0.95 LMNA (0.56) LMNAHTTPKMHSD17B10PAK1
SCHEMBL797545 0.92 LMNA (0.51) LMNAHTTPKMHSD17B10PAK1
SCHEMBL30473749 0.92 LMNA (0.51) LMNAHTTPKMHSD17B10PAK1
SCHEMBL5670409 0.86 RPS6KB1 (0.48) LMNAHTTPKMHSD17B10PAK1
Hydrochloric Acid SCHEMBL1748687 0.84 RPS6KB1 (0.47) LMNAHTTPKMHSD17B10PAK1
SCHEMBL797050 0.80 CHUK (0.52) LMNAHTTPKMHSD17B10PAK1
SCHEMBL7621597 0.78 CHUK (0.50) LMNAHTTPKMHSD17B10PAK1
SCHEMBL2031719 0.77 JAK2 (0.52) LMNAHTTPKMHSD17B10PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025090-A2 HETEROBICYCLIC AND - TRICYCLIC INHIBITORS OF MAPK/ERK KINASE KALYPSYS, INC. (US) 2007-03-01 WO disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 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-20070049591-A1 Inhibitors of MAPK/Erk Kinase MAPK1, MAP3K1, MAP3K6 LMNA 2209/4885HTT 3149/4885PKM 724/4885

“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.