SCHEMBL4822189

SCHEMBL4822189

COc1ccccc1-c1cc(N)c2cc(N)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 1/20 0.51
ADORA2A P29274 1/20 0.48
SLC2A1 P11166 1/20 0.45
DHFR P00374 1/20 0.44
MAP4K4 O95819 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHODH Q02127 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
TACR3 P29371 1/20 0.42
ACHE P22303 3/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4821662 0.78 ACHE (0.45) ADORA2AMAP4K4TACR3ACHEKMT2A
SCHEMBL4825118 0.78 HSP90AA1 (0.50) HSP90AA1HSP90AB1ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL4824379 0.76 ACHE (0.71) HSP90AA1HSP90AB1ADORA2ASMN1; SMN2ALDH1A1
SCHEMBL5741860 0.75 MAPT (0.52) HSP90AA1HSP90AB1ADORA2ASLC2A1SMN1; SMN2
SCHEMBL4824378 0.74 KDM4E (0.54) SLC2A1SMN1; SMN2ALDH1A1HPGDACHE
SCHEMBL4817642 0.74 KDM4E (0.65) ADORA2AMAP4K4SMN1; SMN2ALDH1A1HPGD
SCHEMBL17786634 0.74 GUSB (0.58)
SCHEMBL16549180 0.73 MAP4K4 (0.51) ADORA2ADHFRMAP4K4TDP1SMN1; SMN2
SCHEMBL8227339 0.72 DHODH (0.55) HSP90AA1HSP90AB1ADORA2ATDP1DHODH
SCHEMBL3909868 0.72 HSP90AA1 (0.55) HSP90AA1HSP90AB1ADORA2ATDP1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 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-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G HSP90AA1 3225/4885HSP90AB1 3337/4885ADORA2A 398/4885

“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.