SCHEMBL6054571

SCHEMBL6054571

Oc1ccc(NC2=NCCN2)c2nsnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 18/20 0.50
▸ ADRA2B P18089 17/20 0.50
▸ ADRA2C P18825 17/20 0.50
▸ ADRA1A P35348 11/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HRH2 P25021 1/20 0.50
▸ NISCH Q9Y2I1 1/20 0.50
▸ ADRA1D P25100 12/20 0.46
▸ ADRA1B P35368 11/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL6054577 0.83 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054544 0.83 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054561 0.80 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054549 0.77 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11470614 0.75 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL11208001 0.75 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL6054581 0.73 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL5429353 0.68 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11008145 0.68 ADRA2C (0.63) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL3346324 0.68 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1ALMNA

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-20060063813-A1 Organic compounds CRAWLEY PATRICK E 2006-03-23 — — US disclosed
EP-1556042-A2 COMBINATIONS OF BENZODITHIAZOLES AND COX-2 INHIBITORS FOR THE TREATMENT OF PAIN Novartis AG (CH) 2005-07-27 — — EP disclosed
WO-2004035030-A2 COMBINATIONS OF BENZODITHIAZOLES AND COX-2 INHIBITORS FOR THE TREATMENT OF PAIN NOVARTIS AG (CH) 2004-04-29 — — 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-20060063813-A1 Organic compounds PTGES2, PTGS2, PTGER2 ADRA2A 1059/4885ADRA2B 1064/4885ADRA2C 525/4885

“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.

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