SCHEMBL5740176

SCHEMBL5740176

Nc1nc(Nc2ccc3nc(-c4ccccc4)cc(N)c3c2)cc(-c2ccc(F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.56
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
CALCA P06881 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
ACHE P22303 2/20 0.47
AURKA O14965 1/20 0.47
PDPK1 O15530 1/20 0.47
TGFBR1 P36897 1/20 0.47
ROCK1 Q13464 1/20 0.47
AURKB Q96GD4 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
ROCK2 O75116 4/20 0.45
MCHR1 Q99705 1/20 0.44
ACP1 P24666 1/20 0.43
DOT1L Q8TEK3 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ADORA2A P29274 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
SCHEMBL5744514 0.92 AGPAT2 (0.47) AGPAT2TP53MAPTLMNATHRB
SCHEMBL5740139 0.91 AGPAT2 (0.60) AGPAT2TP53MAPTROCK2DOT1L
SCHEMBL5740131 0.91 AGPAT2 (0.54) AGPAT2TP53MAPTLMNATHRB
SCHEMBL5742672 0.91 AGPAT2 (0.46) AGPAT2TP53MAPTLMNATHRB
SCHEMBL5742715 0.91 AGPAT2 (0.55) AGPAT2TP53MAPTLMNATHRB
SCHEMBL5741921 0.90 AGPAT2 (0.51) AGPAT2TP53MAPTLMNATHRB
SCHEMBL5740460 0.89 MCHR1 (0.50) AGPAT2TP53MAPTLMNATHRB
SCHEMBL5743044 0.89 AGPAT2 (0.50) AGPAT2TP53MAPTLMNATHRB
SCHEMBL5743457 0.88 ACP1 (0.54) AGPAT2TP53MAPTACP1DOT1L
SCHEMBL5740482 0.88 ALOX15 (0.48) AGPAT2TP53MAPTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CHAUDHARI BIPINCHANDRA (US) 2004-03-25 US disclosed
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP 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 (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-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A AGPAT2 2310/4885TP53 4602/4885MAPT 2374/4885

“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.