SCHEMBL4932780

SCHEMBL4932780

c1cnc2ncc3c[nH]nc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MTOR P42345 3/20 0.34
PIK3CA P42336 2/20 0.34
HSP90AA1 P07900 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
RPS6KA5 O75582 1/20 0.33
NPC1 O15118 1/20 0.33
PARP1 P09874 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 3/20 0.33
NUDT1 P36639 2/20 0.33
AXL P30530 2/20 0.33
CCR1 P32246 3/20 0.32
CCR8 P51685 3/20 0.32
MAPT P10636 2/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
MMP2 P08253 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
SCHEMBL13192813 0.76 LMNA (0.52) LMNAMTORHSP90AA1L3MBTL1NPC1
SCHEMBL1727666 0.75 KDM4E (0.52) KDM4E
SCHEMBL30951595 0.75 KDM4E (0.52) KDM4E
SCHEMBL10667809 0.74 LMNA (0.59) LMNAMTORHSP90AA1L3MBTL1NPC1
SCHEMBL4900470 0.74 KDM4E (0.47) LMNAMTORHSP90AA1L3MBTL1NPC1
SCHEMBL729398 0.74 LMNA (0.45) LMNAMTORPIK3CAHSP90AA1L3MBTL1
Bromide SCHEMBL10699147 0.72 LMNA (0.58) LMNAMTORHSP90AA1NPC1KDM4E
Iodide SCHEMBL10698948 0.72 LMNA (0.58) LMNAMTORHSP90AA1NPC1KDM4E
SCHEMBL7678 0.71
SCHEMBL5572937 0.70 DHFR (0.42) LMNAHSP90AA1HCAR2NUDT1MAPT

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-20110294799-A1 Organic Compounds NOVARTIS AG 2011-12-01 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 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-20110294799-A1 Organic Compounds SLCO4C1, SLCO1B1, SLCO1B3 LMNA 2266/4885MTOR 2444/4885PIK3CA 1863/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 LMNA 1368/4885MTOR 540/4885PIK3CA 435/4885

“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.