SCHEMBL4823657

SCHEMBL4823657

Nc1ccc2nc(-c3cccc(F)c3)cc(N)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
MAP4K4 O95819 3/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ADORA2A P29274 1/20 0.47
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
TLR9 Q9NR96 2/20 0.43
GLA P06280 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NT5E P21589 2/20 0.41
DHODH Q02127 1/20 0.41
ATM Q13315 1/20 0.41
EPRS1 P07814 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
SCHEMBL4824379 0.84 ACHE (0.71) ACHEKMT2AKDM4EMEN1MAPT
SCHEMBL4823113 0.83 ABCG2 (0.48) ACHEMAP4K4KMT2AKDM4EMEN1
SCHEMBL4830606 0.83 ACHE (0.51) ACHEKMT2AKDM4EMEN1MAPT
SCHEMBL4823424 0.82 MAP4K4 (0.43) ACHEMAP4K4KMT2AKDM4EMEN1
SCHEMBL4826847 0.82 MAP4K4 (0.46) ACHEMAP4K4KMT2AKDM4EMEN1
SCHEMBL4816251 0.82 ACHE (0.51) ACHEMAP4K4KMT2AKDM4EMEN1
SCHEMBL4825564 0.82 ACHE (0.51) ACHEKMT2AKDM4EMEN1MAPT
SCHEMBL4824433 0.82 ABCG2 (0.57) ACHEADORA2AABCG2
SCHEMBL4247440 0.80 ACHE (0.49) ACHEMAP4K4KMT2AKDM4EMEN1
SCHEMBL4817642 0.79 KDM4E (0.65) ACHEMAP4K4KMT2AKDM4EMEN1

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 11 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
EP-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-6815447-B2 6-N-(2-AMINO-PYRIMIDIN-4-YL)QUINOLINE-6-AMINE DERIVATIVES; ANALGESICS ASTRAZENECA AB (SE) 2004-11-09 US disclosed
US-20040077644-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-04-22 US disclosed
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CHAUDHARI BIPINCHANDRA (US) 2004-03-25 US disclosed
EP-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036567-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
WO-2002036586-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO 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 (3 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-20040077644-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A ACHE 176/4885MAP4K4 3940/4885KMT2A 4401/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G ACHE 140/4885MAP4K4 3070/4885KMT2A 4155/4885
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A ACHE 176/4885MAP4K4 3940/4885KMT2A 4401/4885

“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.